2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid

C273H205N51O138S38 — CID 158606016

IUPAC2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid
SMILESCOc1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(S(=O)(=O)O)cc5cc(OS(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(O)c5c4N)ccc3c2O)c(SOOO)c1.COc1ccc(/N=N/c2c(SOOO)cc3c(S(=O)(=O)O)c(/N=N/c4c(OS(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccc(OC)cc8SOOO)c(S(=O)(=O)O)cc7c6S(=O)(=O)O)c(N)c5c4O)ccc3c2O)cc1.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6S(=O)(=O)O)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12
InChIInChI=1S/C62H47N11O32S9.C62H47N11O29S8.C62H47N11O26S7.C44H33N9O26S7.C43H31N9O25S7/c1-29-20-45(48(101-18-7-19-106-104-102-78)28-44(29)67-69-46-23-32(108(80,81)82)21-30-22-33(109(83,84)85)24-47(74)53(30)46)68-73-57-52(112(92,93)94)27-39-36(60(57)77)14-17-43(62(39)114(98,99)100)65-70-54-37-26-51(111(89,90)91)56(59(76)34(37)12-15-41(54)63-31-8-3-2-4-9-31)72-66-42-16-13-35-38(61(42)113(95,96)97)25-49(107-105-103-79)55(58(35)75)71-64-40-10-5-6-11-50(40)110(86,87)88;1-30-20-46(49(98-18-7-19-103-101-99-78)29-45(30)67-69-47-25-35(105(80,81)82)22-32-23-36(106(83,84)85)26-48(74)54(32)47)68-73-58-53(109(92,93)94)28-41-39(61(58)77)15-17-44(62(41)110(95,96)97)66-70-55-40-27-52(108(89,90)91)57(60(76)38(40)14-16-43(55)63-33-8-3-2-4-9-33)72-64-34-12-13-37-31(21-34)24-50(104-102-100-79)56(59(37)75)71-65-42-10-5-6-11-51(42)107(86,87)88;1-31-20-47(50(95-18-7-19-100-98-96-78)30-46(31)67-69-48-27-38(102(80,81)82)23-34-24-39(103(83,84)85)28-49(74)55(34)48)68-73-58-53(105(89,90)91)26-33-22-37(13-15-41(33)61(58)76)64-70-56-43-29-54(106(92,93)94)59(62(77)42(43)16-17-45(56)63-35-8-3-2-4-9-35)72-65-36-12-14-40-32(21-36)25-51(101-99-97-79)57(60(40)75)71-66-44-10-5-6-11-52(44)104(86,87)88;1-73-20-5-3-19(4-6-20)46-51-37-31(81-79-77-58)16-24-22(40(37)54)8-11-27(43(24)85(67,68)69)48-50-36-29(75-82(59)60)13-18-14-32(83(61,62)63)38(35(45)34(18)42(36)56)52-49-28-12-9-23-25(44(28)86(70,71)72)17-33(84(64,65)66)39(41(23)55)53-47-26-10-7-21(74-2)15-30(26)80-78-76-57;1-72-21-7-10-25(29(16-21)78-76-74-56)46-52-39-33(83(66,67)68)17-24-23(41(39)54)9-11-27(43(24)84(69,70)71)48-51-38-32(82(63,64)65)15-19-13-28(73-80(58)59)36(42(55)34(19)35(38)44)49-45-20-6-8-22-18(12-20)14-30(79-77-75-57)37(40(22)53)50-47-26-4-2-3-5-31(26)81(60,61)62/h2-6,8-17,20-28,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100);2-6,8-17,20-29,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97);2-6,8-17,20-30,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94);3-17,54-58H,45H2,1-2H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);2-17,53-57H,44H2,1H3,(H,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/b69-67+,70-65+,71-64+,72-66+,73-68+;69-67+,70-66+,71-65+,72-64+,73-68+;69-67+,70-64+,71-66+,72-65+,73-68+;50-48+,51-46+,52-49+,53-47+;49-45+,50-47+,51-48+,52-46+
InChIKeyHWFQUFKTNQCQOP-MAYABZLNSA-N
MW7626.41 g/mol
LogP69.75
Rot. Bonds127

About 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid

2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid (PubChem CID 158606016) has the molecular formula C273H205N51O138S38 and a molecular weight of 7626.41 g/mol. Its IUPAC name is 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid.

Molecular Properties

Compound Name2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid
PubChem CID158606016
Molecular FormulaC273H205N51O138S38
Molecular Weight7626.41 g/mol
Exact Mass7619.00
IUPAC Name2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid
SMILESCOc1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(S(=O)(=O)O)cc5cc(OS(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(O)c5c4N)ccc3c2O)c(SOOO)c1.COc1ccc(/N=N/c2c(SOOO)cc3c(S(=O)(=O)O)c(/N=N/c4c(OS(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccc(OC)cc8SOOO)c(S(=O)(=O)O)cc7c6S(=O)(=O)O)c(N)c5c4O)ccc3c2O)cc1.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6S(=O)(=O)O)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12
InChIInChI=1S/C62H47N11O32S9.C62H47N11O29S8.C62H47N11O26S7.C44H33N9O26S7.C43H31N9O25S7/c1-29-20-45(48(101-18-7-19-106-104-102-78)28-44(29)67-69-46-23-32(108(80,81)82)21-30-22-33(109(83,84)85)24-47(74)53(30)46)68-73-57-52(112(92,93)94)27-39-36(60(57)77)14-17-43(62(39)114(98,99)100)65-70-54-37-26-51(111(89,90)91)56(59(76)34(37)12-15-41(54)63-31-8-3-2-4-9-31)72-66-42-16-13-35-38(61(42)113(95,96)97)25-49(107-105-103-79)55(58(35)75)71-64-40-10-5-6-11-50(40)110(86,87)88;1-30-20-46(49(98-18-7-19-103-101-99-78)29-45(30)67-69-47-25-35(105(80,81)82)22-32-23-36(106(83,84)85)26-48(74)54(32)47)68-73-58-53(109(92,93)94)28-41-39(61(58)77)15-17-44(62(41)110(95,96)97)66-70-55-40-27-52(108(89,90)91)57(60(76)38(40)14-16-43(55)63-33-8-3-2-4-9-33)72-64-34-12-13-37-31(21-34)24-50(104-102-100-79)56(59(37)75)71-65-42-10-5-6-11-51(42)107(86,87)88;1-31-20-47(50(95-18-7-19-100-98-96-78)30-46(31)67-69-48-27-38(102(80,81)82)23-34-24-39(103(83,84)85)28-49(74)55(34)48)68-73-58-53(105(89,90)91)26-33-22-37(13-15-41(33)61(58)76)64-70-56-43-29-54(106(92,93)94)59(62(77)42(43)16-17-45(56)63-35-8-3-2-4-9-35)72-65-36-12-14-40-32(21-36)25-51(101-99-97-79)57(60(40)75)71-66-44-10-5-6-11-52(44)104(86,87)88;1-73-20-5-3-19(4-6-20)46-51-37-31(81-79-77-58)16-24-22(40(37)54)8-11-27(43(24)85(67,68)69)48-50-36-29(75-82(59)60)13-18-14-32(83(61,62)63)38(35(45)34(18)42(36)56)52-49-28-12-9-23-25(44(28)86(70,71)72)17-33(84(64,65)66)39(41(23)55)53-47-26-10-7-21(74-2)15-30(26)80-78-76-57;1-72-21-7-10-25(29(16-21)78-76-74-56)46-52-39-33(83(66,67)68)17-24-23(41(39)54)9-11-27(43(24)84(69,70)71)48-51-38-32(82(63,64)65)15-19-13-28(73-80(58)59)36(42(55)34(19)35(38)44)49-45-20-6-8-22-18(12-20)14-30(79-77-75-57)37(40(22)53)50-47-26-4-2-3-5-31(26)81(60,61)62/h2-6,8-17,20-28,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100);2-6,8-17,20-29,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97);2-6,8-17,20-30,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94);3-17,54-58H,45H2,1-2H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);2-17,53-57H,44H2,1H3,(H,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/b69-67+,70-65+,71-64+,72-66+,73-68+;69-67+,70-66+,71-65+,72-64+,73-68+;69-67+,70-64+,71-66+,72-65+,73-68+;50-48+,51-46+,52-49+,53-47+;49-45+,50-47+,51-48+,52-46+
InChIKeyHWFQUFKTNQCQOP-MAYABZLNSA-N
XLogP69.75
TPSA2969.79 Ų
H-Bond Donors61
H-Bond Acceptors171
Rotatable Bonds127
Heavy Atoms500
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007626.41
LogP ≤ 569.75
H-Bond Donors ≤ 561
H-Bond Acceptors ≤ 10171

Analyze 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid with MolForge

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Related Compounds

7-anilino-4-hydroxy-8-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfinooxynaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-7-sulfinooxynaphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
CID 59745733
2-[[2-(4-amino-3-sulfoanilino)-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 58667363
8-amino-7-anilino-4-hydroxy-3-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid;2-diazenyl-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-(trioxidanylsulfanyloxy)phenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 159584160
4-hydroxy-5-[[5-(2-hydroxyethoxy)-4-[[1-hydroxy-7-[[5-hydroxy-6-[[5-hydroxy-6-[[5-(methoxymethylideneamino)-2-sulfophenyl]diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-2-(3-sulfopropylamino)-7-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 58667376
2-[[2-(4-amino-3-sulfoanilino)-6-[[6-[(2,4-disulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 121389170
4-amino-5-hydroxy-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-[[5-hydroxy-6-[[4-nitro-2-(trioxidanylsulfanyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-7-sulfinooxynaphthalene-2-sulfonic acid
CID 91867592
4-[3-[[1-hydroxy-7-[[1-hydroxy-5-[[5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]-6-(methylamino)-3-sulfonaphthalen-2-yl]diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]anilino]benzoic acid
CID 121389231
4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;molecular hydrogen
CID 159760951
2-[[1-amino-8-hydroxy-7-phenyldiazenyl-4-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-[(4-sulfophenyl)diazenyl]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 135979748
4-amino-5-hydroxy-3-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)diazenyl]-1,7-disulfonaphthalen-2-yl]diazenyl]-6-[[5-hydroxy-7-sulfo-6-[(2-sulfophenyl)diazenyl]naphthalen-2-yl]diazenyl]naphthalene-1,7-disulfonic acid
CID 136503003
4-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 136606748
4-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 137200917

Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid?
The IUPAC name of 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid (CID 158606016) is 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid.
What is the SMILES notation for 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid?
The canonical SMILES for 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid is COc1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(S(=O)(=O)O)cc5cc(OS(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(O)c5c4N)ccc3c2O)c(SOOO)c1.COc1ccc(/N=N/c2c(SOOO)cc3c(S(=O)(=O)O)c(/N=N/c4c(OS(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccc(OC)cc8SOOO)c(S(=O)(=O)O)cc7c6S(=O)(=O)O)c(N)c5c4O)ccc3c2O)cc1.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6S(=O)(=O)O)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(/N=N/c4c(Nc5ccccc5)ccc5c(O)c(/N=N/c6ccc7c(O)c(/N=N/c8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(S(=O)(=O)O)cc45)ccc3c2O)c(OCCCSOOO)cc1/N=N/c1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.
What is the InChIKey of 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid?
The InChIKey is HWFQUFKTNQCQOP-MAYABZLNSA-N. The full InChI is InChI=1S/C62H47N11O32S9.C62H47N11O29S8.C62H47N11O26S7.C44H33N9O26S7.C43H31N9O25S7/c1-29-20-45(48(101-18-7-19-106-104-102-78)28-44(29)67-69-46-23-32(108(80,81)82)21-30-22-33(109(83,84)85)24-47(74)53(30)46)68-73-57-52(112(92,93)94)27-39-36(60(57)77)14-17-43(62(39)114(98,99)100)65-70-54-37-26-51(111(89,90)91)56(59(76)34(37)12-15-41(54)63-31-8-3-2-4-9-31)72-66-42-16-13-35-38(61(42)113(95,96)97)25-49(107-105-103-79)55(58(35)75)71-64-40-10-5-6-11-50(40)110(86,87)88;1-30-20-46(49(98-18-7-19-103-101-99-78)29-45(30)67-69-47-25-35(105(80,81)82)22-32-23-36(106(83,84)85)26-48(74)54(32)47)68-73-58-53(109(92,93)94)28-41-39(61(58)77)15-17-44(62(41)110(95,96)97)66-70-55-40-27-52(108(89,90)91)57(60(76)38(40)14-16-43(55)63-33-8-3-2-4-9-33)72-64-34-12-13-37-31(21-34)24-50(104-102-100-79)56(59(37)75)71-65-42-10-5-6-11-51(42)107(86,87)88;1-31-20-47(50(95-18-7-19-100-98-96-78)30-46(31)67-69-48-27-38(102(80,81)82)23-34-24-39(103(83,84)85)28-49(74)55(34)48)68-73-58-53(105(89,90)91)26-33-22-37(13-15-41(33)61(58)76)64-70-56-43-29-54(106(92,93)94)59(62(77)42(43)16-17-45(56)63-35-8-3-2-4-9-35)72-65-36-12-14-40-32(21-36)25-51(101-99-97-79)57(60(40)75)71-66-44-10-5-6-11-52(44)104(86,87)88;1-73-20-5-3-19(4-6-20)46-51-37-31(81-79-77-58)16-24-22(40(37)54)8-11-27(43(24)85(67,68)69)48-50-36-29(75-82(59)60)13-18-14-32(83(61,62)63)38(35(45)34(18)42(36)56)52-49-28-12-9-23-25(44(28)86(70,71)72)17-33(84(64,65)66)39(41(23)55)53-47-26-10-7-21(74-2)15-30(26)80-78-76-57;1-72-21-7-10-25(29(16-21)78-76-74-56)46-52-39-33(83(66,67)68)17-24-23(41(39)54)9-11-27(43(24)84(69,70)71)48-51-38-32(82(63,64)65)15-19-13-28(73-80(58)59)36(42(55)34(19)35(38)44)49-45-20-6-8-22-18(12-20)14-30(79-77-75-57)37(40(22)53)50-47-26-4-2-3-5-31(26)81(60,61)62/h2-6,8-17,20-28,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100);2-6,8-17,20-29,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97);2-6,8-17,20-30,63,74-79H,7,18-19H2,1H3,(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94);3-17,54-58H,45H2,1-2H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);2-17,53-57H,44H2,1H3,(H,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/b69-67+,70-65+,71-64+,72-66+,73-68+;69-67+,70-66+,71-65+,72-64+,73-68+;69-67+,70-64+,71-66+,72-65+,73-68+;50-48+,51-46+,52-49+,53-47+;49-45+,50-47+,51-48+,52-46+.
What are the key properties of 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid?
2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid has a molecular weight of 7626.41 g/mol, XLogP of 69.75, 127 rotatable bonds, 61 hydrogen bond donors, and 171 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(4-methoxyphenyl)diazenyl]-1-sulfo-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[1-amino-8-hydroxy-7-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-6-sulfinooxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-methoxy-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalene-1,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid;4-[[4-[[6-[[2-anilino-5-hydroxy-6-[[5-hydroxy-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methyl-5-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;2-[[2-anilino-5-hydroxy-6-[[5-hydroxy-1-sulfo-6-[(2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-5-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]-5-methyl-2-[3-(trioxidanylsulfanyl)propoxy]phenyl]diazenyl]naphthalene-1,7-disulfonic acid is sourced from PubChem (CID 158606016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).