8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)

C179H152N28O63S14 — CID 158135711

IUPAC8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)
SMILESCCCOc1ccc(/N=N/c2cc(OC)c(/N=N/c3cc(OC)c(/N=N/c4ccc5cc(Nc6ccccc6)ccc5c4O)c4ccccc34)cc2CO)c(S(=O)(=O)O)c1.CCCOc1ccc(/N=N/c2cc(OCCCCS(=O)(=O)O)c(/N=N/c3cc(OC)c(/N=N/c4ccc5cc(Nc6ccccc6)ccc5c4O)c4ccccc34)cc2C)cc1.COc1cc(/N=N/c2ccc(/N=N/c3cc(OC=O)cc(OC=O)c3)c3ccc(S(=O)(=O)O)cc23)c(CO)cc1/N=N/c1ccc2cc(Nc3ccccc3)ccc2c1O.COc1ccc(Nc2ccc3c(O)c(/N=N/c4c(OC)cc(/N=N/c5cc(CO)c(/N=N/c6ccc7cccc(S(=O)(=O)O)c7c6)cc5OC)c5ccccc45)ccc3c2)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C47H45N7O7S.C46H37N7O8S.C44H39N7O8S.C42H31N7O10S.10O3S/c1-4-24-60-36-20-17-34(18-21-36)49-51-41-29-44(61-25-10-11-26-62(56,57)58)43(27-31(41)2)53-52-42-30-45(59-3)46(39-15-9-8-14-38(39)42)54-50-40-23-16-32-28-35(19-22-37(32)47(40)55)48-33-12-6-5-7-13-33;1-59-33-17-14-30(15-18-33)47-31-16-19-34-28(21-31)12-20-38(46(34)55)49-53-45-36-9-5-4-8-35(36)40(25-43(45)61-3)51-52-41-22-29(26-54)39(24-42(41)60-2)50-48-32-13-11-27-7-6-10-44(37(27)23-32)62(56,57)58;1-4-20-59-31-16-19-35(42(23-31)60(54,55)56)46-48-37-24-40(57-2)39(22-28(37)26-52)50-49-38-25-41(58-3)43(34-13-9-8-12-33(34)38)51-47-36-18-14-27-21-30(15-17-32(27)44(36)53)45-29-10-6-5-7-11-29;1-57-41-21-39(26(22-50)16-40(41)49-47-38-12-7-25-15-28(8-10-33(25)42(38)53)43-27-5-3-2-4-6-27)48-46-37-14-13-36(34-11-9-32(20-35(34)37)60(54,55)56)45-44-29-17-30(58-23-51)19-31(18-29)59-24-52;10*1-4(2)3/h5-9,12-23,27-30,48,55H,4,10-11,24-26H2,1-3H3,(H,56,57,58);4-25,47,54-55H,26H2,1-3H3,(H,56,57,58);5-19,21-25,45,52-53H,4,20,26H2,1-3H3,(H,54,55,56);2-21,23-24,43,50,53H,22H2,1H3,(H,54,55,56);;;;;;;;;;/b51-49+,53-52+,54-50+;50-48+,52-51+,53-49+;48-46+,50-49+,51-47+;45-44+,48-46+,49-47+;;;;;;;;;;
InChIKeyFTHZVDPOTIVLFB-BRXIFJADSA-N
MW4152.26 g/mol
LogP39.15
Rot. Bonds61

About 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)

8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide) (PubChem CID 158135711) has the molecular formula C179H152N28O63S14 and a molecular weight of 4152.26 g/mol. Its IUPAC name is 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide).

Molecular Properties

Compound Name8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)
PubChem CID158135711
Molecular FormulaC179H152N28O63S14
Molecular Weight4152.26 g/mol
Exact Mass4148.56
IUPAC Name8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)
SMILESCCCOc1ccc(/N=N/c2cc(OC)c(/N=N/c3cc(OC)c(/N=N/c4ccc5cc(Nc6ccccc6)ccc5c4O)c4ccccc34)cc2CO)c(S(=O)(=O)O)c1.CCCOc1ccc(/N=N/c2cc(OCCCCS(=O)(=O)O)c(/N=N/c3cc(OC)c(/N=N/c4ccc5cc(Nc6ccccc6)ccc5c4O)c4ccccc34)cc2C)cc1.COc1cc(/N=N/c2ccc(/N=N/c3cc(OC=O)cc(OC=O)c3)c3ccc(S(=O)(=O)O)cc23)c(CO)cc1/N=N/c1ccc2cc(Nc3ccccc3)ccc2c1O.COc1ccc(Nc2ccc3c(O)c(/N=N/c4c(OC)cc(/N=N/c5cc(CO)c(/N=N/c6ccc7cccc(S(=O)(=O)O)c7c6)cc5OC)c5ccccc45)ccc3c2)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C47H45N7O7S.C46H37N7O8S.C44H39N7O8S.C42H31N7O10S.10O3S/c1-4-24-60-36-20-17-34(18-21-36)49-51-41-29-44(61-25-10-11-26-62(56,57)58)43(27-31(41)2)53-52-42-30-45(59-3)46(39-15-9-8-14-38(39)42)54-50-40-23-16-32-28-35(19-22-37(32)47(40)55)48-33-12-6-5-7-13-33;1-59-33-17-14-30(15-18-33)47-31-16-19-34-28(21-31)12-20-38(46(34)55)49-53-45-36-9-5-4-8-35(36)40(25-43(45)61-3)51-52-41-22-29(26-54)39(24-42(41)60-2)50-48-32-13-11-27-7-6-10-44(37(27)23-32)62(56,57)58;1-4-20-59-31-16-19-35(42(23-31)60(54,55)56)46-48-37-24-40(57-2)39(22-28(37)26-52)50-49-38-25-41(58-3)43(34-13-9-8-12-33(34)38)51-47-36-18-14-27-21-30(15-17-32(27)44(36)53)45-29-10-6-5-7-11-29;1-57-41-21-39(26(22-50)16-40(41)49-47-38-12-7-25-15-28(8-10-33(25)42(38)53)43-27-5-3-2-4-6-27)48-46-37-14-13-36(34-11-9-32(20-35(34)37)60(54,55)56)45-44-29-17-30(58-23-51)19-31(18-29)59-24-52;10*1-4(2)3/h5-9,12-23,27-30,48,55H,4,10-11,24-26H2,1-3H3,(H,56,57,58);4-25,47,54-55H,26H2,1-3H3,(H,56,57,58);5-19,21-25,45,52-53H,4,20,26H2,1-3H3,(H,54,55,56);2-21,23-24,43,50,53H,22H2,1H3,(H,54,55,56);;;;;;;;;;/b51-49+,53-52+,54-50+;50-48+,52-51+,53-49+;48-46+,50-49+,51-47+;45-44+,48-46+,49-47+;;;;;;;;;;
InChIKeyFTHZVDPOTIVLFB-BRXIFJADSA-N
XLogP39.15
TPSA1360.85 Ų
H-Bond Donors15
H-Bond Acceptors87
Rotatable Bonds61
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004152.26
LogP ≤ 539.15
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1087

Analyze 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide) with MolForge

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Related Compounds

8-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-5-[[4-phenyldiazenyl-2-(3-sulfopropoxy)phenyl]diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[3-ethoxy-4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]naphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]benzenesulfonic acid;8-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(hydroxymethyl)benzenesulfonic acid;nonakis(sulfur trioxide)
CID 158859590
7-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 140963085
3-[7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]oxypropane-1-sulfonic acid
CID 140963158
7-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,6-disulfonic acid;bis(sulfur trioxide)
CID 159706837
6-(4-methoxyanilino)-2-[[2-methoxy-4-[[2-methoxy-4-[(6-propoxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-methylphenyl]diazenyl]naphthalen-1-ol
CID 140963067
7-[[4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonic acid
CID 136960792
3-[[2-butoxy-4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-methylphenyl]diazenyl]-5-hydroxynaphthalene-2-sulfonic acid
CID 136960794
2-[[4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzenesulfonic acid;bis(sulfur trioxide)
CID 161394493
8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
CID 140963118
2-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzenesulfonic acid
CID 137279928
2-[[4-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxyphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-propoxyphenyl]diazenyl]benzenesulfonic acid
CID 136606702
3-[[2,5-dimethoxy-4-[[7-sulfo-4-[[6-sulfo-8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]naphthalen-1-yl]diazenyl]phenyl]diazenyl]-4-hydroxy-7-(4-methoxyanilino)naphthalene-2-sulfonic acid
CID 137492470

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)?
The IUPAC name of 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide) (CID 158135711) is 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide).
What is the SMILES notation for 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)?
The canonical SMILES for 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide) is CCCOc1ccc(/N=N/c2cc(OC)c(/N=N/c3cc(OC)c(/N=N/c4ccc5cc(Nc6ccccc6)ccc5c4O)c4ccccc34)cc2CO)c(S(=O)(=O)O)c1.CCCOc1ccc(/N=N/c2cc(OCCCCS(=O)(=O)O)c(/N=N/c3cc(OC)c(/N=N/c4ccc5cc(Nc6ccccc6)ccc5c4O)c4ccccc34)cc2C)cc1.COc1cc(/N=N/c2ccc(/N=N/c3cc(OC=O)cc(OC=O)c3)c3ccc(S(=O)(=O)O)cc23)c(CO)cc1/N=N/c1ccc2cc(Nc3ccccc3)ccc2c1O.COc1ccc(Nc2ccc3c(O)c(/N=N/c4c(OC)cc(/N=N/c5cc(CO)c(/N=N/c6ccc7cccc(S(=O)(=O)O)c7c6)cc5OC)c5ccccc45)ccc3c2)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)?
The InChIKey is FTHZVDPOTIVLFB-BRXIFJADSA-N. The full InChI is InChI=1S/C47H45N7O7S.C46H37N7O8S.C44H39N7O8S.C42H31N7O10S.10O3S/c1-4-24-60-36-20-17-34(18-21-36)49-51-41-29-44(61-25-10-11-26-62(56,57)58)43(27-31(41)2)53-52-42-30-45(59-3)46(39-15-9-8-14-38(39)42)54-50-40-23-16-32-28-35(19-22-37(32)47(40)55)48-33-12-6-5-7-13-33;1-59-33-17-14-30(15-18-33)47-31-16-19-34-28(21-31)12-20-38(46(34)55)49-53-45-36-9-5-4-8-35(36)40(25-43(45)61-3)51-52-41-22-29(26-54)39(24-42(41)60-2)50-48-32-13-11-27-7-6-10-44(37(27)23-32)62(56,57)58;1-4-20-59-31-16-19-35(42(23-31)60(54,55)56)46-48-37-24-40(57-2)39(22-28(37)26-52)50-49-38-25-41(58-3)43(34-13-9-8-12-33(34)38)51-47-36-18-14-27-21-30(15-17-32(27)44(36)53)45-29-10-6-5-7-11-29;1-57-41-21-39(26(22-50)16-40(41)49-47-38-12-7-25-15-28(8-10-33(25)42(38)53)43-27-5-3-2-4-6-27)48-46-37-14-13-36(34-11-9-32(20-35(34)37)60(54,55)56)45-44-29-17-30(58-23-51)19-31(18-29)59-24-52;10*1-4(2)3/h5-9,12-23,27-30,48,55H,4,10-11,24-26H2,1-3H3,(H,56,57,58);4-25,47,54-55H,26H2,1-3H3,(H,56,57,58);5-19,21-25,45,52-53H,4,20,26H2,1-3H3,(H,54,55,56);2-21,23-24,43,50,53H,22H2,1H3,(H,54,55,56);;;;;;;;;;/b51-49+,53-52+,54-50+;50-48+,52-51+,53-49+;48-46+,50-49+,51-47+;45-44+,48-46+,49-47+;;;;;;;;;;.
What are the key properties of 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide)?
8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide) has a molecular weight of 4152.26 g/mol, XLogP of 39.15, 61 rotatable bonds, 15 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(3,5-diformyloxyphenyl)diazenyl]naphthalene-2-sulfonic acid;2-[[4-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-propoxybenzenesulfonic acid;4-[2-[[4-[(6-anilino-1-hydroxynaphthalen-2-yl)diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-4-methyl-5-[(4-propoxyphenyl)diazenyl]phenoxy]butane-1-sulfonic acid;7-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-3-methoxynaphthalen-1-yl]diazenyl]-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;decakis(sulfur trioxide) is sourced from PubChem (CID 158135711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).