2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)

C230H244N32O96S26 — CID 158851187

IUPAC2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)
SMILESCCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccc4cccc(S(=O)(=O)O)c4c3)cc2OCCC)c(C)cc1CC(=O)Cc1cc(C)c(/N=N/c2cc(C)c(/N=N/c3ccc4cc(S(=O)(=O)O)ccc4c3)cc2OCCCS(=O)(=O)O)cc1OCCCS(=O)(=O)O.CCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccccc3S(=O)(=O)O)cc2OCCC)c(C)cc1CC(=O)Cc1cc(C)c(/N=N/c2cc(C)c(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2OCCCS(=O)(=O)O)cc1OCCCS(=O)(=O)O.CCCOc1cc(/N=N/c2ccccc2S(=O)(=O)O)c(C)cc1/N=N/c1cc(C)c(CC(=O)Cc2cc(C)c(/N=N/c3cc(C)c(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3OCCCS(=O)(=O)O)cc2C)cc1C.CCCOc1cc(S(=O)(=O)O)cc2ccc(/N=N/c3cc(C)c(/N=N/c4cc(CO)c(CC(=O)Cc5cc(C)c(/N=N/c6cc(C)c(/N=N/c7ccc8cccc(OCCCS(=O)(=O)O)c8c7)cc6C)cc5OC)cc4C)cc3C)cc12.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.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C63H66N8O17S4.C61H62N8O11S2.C55H62N8O17S4.C51H54N8O12S3.13O3S/c1-7-20-85-59-35-53(68-70-57-28-41(5)55(37-61(57)86-21-8-2)67-65-49-17-14-43-12-9-13-63(52(43)34-49)92(82,83)84)39(3)26-46(59)31-50(72)32-47-27-40(4)54(36-60(47)87-22-10-24-89(73,74)75)69-71-58-29-42(6)56(38-62(58)88-23-11-25-90(76,77)78)66-64-48-18-15-45-33-51(91(79,80)81)19-16-44(45)30-48;1-9-18-79-61-33-50(82(75,76)77)29-43-15-17-48(32-52(43)61)63-65-54-23-40(6)55(25-38(54)4)66-68-57-30-46(35-70)44(21-36(57)2)27-49(71)28-45-22-37(3)58(34-60(45)78-8)69-67-56-26-39(5)53(24-41(56)7)64-62-47-16-14-42-12-10-13-59(51(42)31-47)80-19-11-20-81(72,73)74;1-7-19-77-51-31-45(60-62-49-28-38(6)48(34-53(49)78-20-8-2)59-57-44-13-9-10-14-55(44)84(74,75)76)35(3)25-39(51)29-42(64)30-40-26-36(4)46(32-52(40)79-21-11-23-81(65,66)67)61-63-50-27-37(5)47(33-54(50)80-22-12-24-82(68,69)70)58-56-41-15-17-43(18-16-41)83(71,72)73;1-8-18-70-49-30-46(57-53-42-12-9-10-13-51(42)74(67,68)69)36(7)26-47(49)58-55-43-23-31(2)37(21-33(43)4)27-40(60)28-38-22-34(5)44(24-32(38)3)56-59-48-25-35(6)45(29-50(48)71-19-11-20-72(61,62)63)54-52-39-14-16-41(17-15-39)73(64,65)66;13*1-4(2)3/h9,12-19,26-30,33-38H,7-8,10-11,20-25,31-32H2,1-6H3,(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84);10,12-17,21-26,29-34,70H,9,11,18-20,27-28,35H2,1-8H3,(H,72,73,74)(H,75,76,77);9-10,13-18,25-28,31-34H,7-8,11-12,19-24,29-30H2,1-6H3,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);9-10,12-17,21-26,29-30H,8,11,18-20,27-28H2,1-7H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;;;;;;;;;/b66-64+,67-65+,70-68+,71-69+;64-62+,65-63+,68-66+,69-67+;58-56+,59-57+,62-60+,63-61+;54-52+,57-53+,58-55+,59-56+;;;;;;;;;;;;;
InChIKeyIZLUOVWGJALZJA-NGQGJRAKSA-N
MW5826.35 g/mol
LogP45.44
Rot. Bonds105

About 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)

2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide) (PubChem CID 158851187) has the molecular formula C230H244N32O96S26 and a molecular weight of 5826.35 g/mol. Its IUPAC name is 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide).

Molecular Properties

Compound Name2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)
PubChem CID158851187
Molecular FormulaC230H244N32O96S26
Molecular Weight5826.35 g/mol
Exact Mass5820.79
IUPAC Name2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)
SMILESCCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccc4cccc(S(=O)(=O)O)c4c3)cc2OCCC)c(C)cc1CC(=O)Cc1cc(C)c(/N=N/c2cc(C)c(/N=N/c3ccc4cc(S(=O)(=O)O)ccc4c3)cc2OCCCS(=O)(=O)O)cc1OCCCS(=O)(=O)O.CCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccccc3S(=O)(=O)O)cc2OCCC)c(C)cc1CC(=O)Cc1cc(C)c(/N=N/c2cc(C)c(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2OCCCS(=O)(=O)O)cc1OCCCS(=O)(=O)O.CCCOc1cc(/N=N/c2ccccc2S(=O)(=O)O)c(C)cc1/N=N/c1cc(C)c(CC(=O)Cc2cc(C)c(/N=N/c3cc(C)c(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3OCCCS(=O)(=O)O)cc2C)cc1C.CCCOc1cc(S(=O)(=O)O)cc2ccc(/N=N/c3cc(C)c(/N=N/c4cc(CO)c(CC(=O)Cc5cc(C)c(/N=N/c6cc(C)c(/N=N/c7ccc8cccc(OCCCS(=O)(=O)O)c8c7)cc6C)cc5OC)cc4C)cc3C)cc12.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.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C63H66N8O17S4.C61H62N8O11S2.C55H62N8O17S4.C51H54N8O12S3.13O3S/c1-7-20-85-59-35-53(68-70-57-28-41(5)55(37-61(57)86-21-8-2)67-65-49-17-14-43-12-9-13-63(52(43)34-49)92(82,83)84)39(3)26-46(59)31-50(72)32-47-27-40(4)54(36-60(47)87-22-10-24-89(73,74)75)69-71-58-29-42(6)56(38-62(58)88-23-11-25-90(76,77)78)66-64-48-18-15-45-33-51(91(79,80)81)19-16-44(45)30-48;1-9-18-79-61-33-50(82(75,76)77)29-43-15-17-48(32-52(43)61)63-65-54-23-40(6)55(25-38(54)4)66-68-57-30-46(35-70)44(21-36(57)2)27-49(71)28-45-22-37(3)58(34-60(45)78-8)69-67-56-26-39(5)53(24-41(56)7)64-62-47-16-14-42-12-10-13-59(51(42)31-47)80-19-11-20-81(72,73)74;1-7-19-77-51-31-45(60-62-49-28-38(6)48(34-53(49)78-20-8-2)59-57-44-13-9-10-14-55(44)84(74,75)76)35(3)25-39(51)29-42(64)30-40-26-36(4)46(32-52(40)79-21-11-23-81(65,66)67)61-63-50-27-37(5)47(33-54(50)80-22-12-24-82(68,69)70)58-56-41-15-17-43(18-16-41)83(71,72)73;1-8-18-70-49-30-46(57-53-42-12-9-10-13-51(42)74(67,68)69)36(7)26-47(49)58-55-43-23-31(2)37(21-33(43)4)27-40(60)28-38-22-34(5)44(24-32(38)3)56-59-48-25-35(6)45(29-50(48)71-19-11-20-72(61,62)63)54-52-39-14-16-41(17-15-39)73(64,65)66;13*1-4(2)3/h9,12-19,26-30,33-38H,7-8,10-11,20-25,31-32H2,1-6H3,(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84);10,12-17,21-26,29-34,70H,9,11,18-20,27-28,35H2,1-8H3,(H,72,73,74)(H,75,76,77);9-10,13-18,25-28,31-34H,7-8,11-12,19-24,29-30H2,1-6H3,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);9-10,12-17,21-26,29-30H,8,11,18-20,27-28H2,1-7H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;;;;;;;;;/b66-64+,67-65+,70-68+,71-69+;64-62+,65-63+,68-66+,69-67+;58-56+,59-57+,62-60+,63-61+;54-52+,57-53+,58-55+,59-56+;;;;;;;;;;;;;
InChIKeyIZLUOVWGJALZJA-NGQGJRAKSA-N
XLogP45.44
TPSA1976.56 Ų
H-Bond Donors14
H-Bond Acceptors115
Rotatable Bonds105
Heavy Atoms384
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005826.35
LogP ≤ 545.44
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 10115

Analyze 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)?
The IUPAC name of 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide) (CID 158851187) is 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide).
What is the SMILES notation for 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)?
The canonical SMILES for 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide) is CCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccc4cccc(S(=O)(=O)O)c4c3)cc2OCCC)c(C)cc1CC(=O)Cc1cc(C)c(/N=N/c2cc(C)c(/N=N/c3ccc4cc(S(=O)(=O)O)ccc4c3)cc2OCCCS(=O)(=O)O)cc1OCCCS(=O)(=O)O.CCCOc1cc(/N=N/c2cc(C)c(/N=N/c3ccccc3S(=O)(=O)O)cc2OCCC)c(C)cc1CC(=O)Cc1cc(C)c(/N=N/c2cc(C)c(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2OCCCS(=O)(=O)O)cc1OCCCS(=O)(=O)O.CCCOc1cc(/N=N/c2ccccc2S(=O)(=O)O)c(C)cc1/N=N/c1cc(C)c(CC(=O)Cc2cc(C)c(/N=N/c3cc(C)c(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3OCCCS(=O)(=O)O)cc2C)cc1C.CCCOc1cc(S(=O)(=O)O)cc2ccc(/N=N/c3cc(C)c(/N=N/c4cc(CO)c(CC(=O)Cc5cc(C)c(/N=N/c6cc(C)c(/N=N/c7ccc8cccc(OCCCS(=O)(=O)O)c8c7)cc6C)cc5OC)cc4C)cc3C)cc12.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.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)?
The InChIKey is IZLUOVWGJALZJA-NGQGJRAKSA-N. The full InChI is InChI=1S/C63H66N8O17S4.C61H62N8O11S2.C55H62N8O17S4.C51H54N8O12S3.13O3S/c1-7-20-85-59-35-53(68-70-57-28-41(5)55(37-61(57)86-21-8-2)67-65-49-17-14-43-12-9-13-63(52(43)34-49)92(82,83)84)39(3)26-46(59)31-50(72)32-47-27-40(4)54(36-60(47)87-22-10-24-89(73,74)75)69-71-58-29-42(6)56(38-62(58)88-23-11-25-90(76,77)78)66-64-48-18-15-45-33-51(91(79,80)81)19-16-44(45)30-48;1-9-18-79-61-33-50(82(75,76)77)29-43-15-17-48(32-52(43)61)63-65-54-23-40(6)55(25-38(54)4)66-68-57-30-46(35-70)44(21-36(57)2)27-49(71)28-45-22-37(3)58(34-60(45)78-8)69-67-56-26-39(5)53(24-41(56)7)64-62-47-16-14-42-12-10-13-59(51(42)31-47)80-19-11-20-81(72,73)74;1-7-19-77-51-31-45(60-62-49-28-38(6)48(34-53(49)78-20-8-2)59-57-44-13-9-10-14-55(44)84(74,75)76)35(3)25-39(51)29-42(64)30-40-26-36(4)46(32-52(40)79-21-11-23-81(65,66)67)61-63-50-27-37(5)47(33-54(50)80-22-12-24-82(68,69)70)58-56-41-15-17-43(18-16-41)83(71,72)73;1-8-18-70-49-30-46(57-53-42-12-9-10-13-51(42)74(67,68)69)36(7)26-47(49)58-55-43-23-31(2)37(21-33(43)4)27-40(60)28-38-22-34(5)44(24-32(38)3)56-59-48-25-35(6)45(29-50(48)71-19-11-20-72(61,62)63)54-52-39-14-16-41(17-15-39)73(64,65)66;13*1-4(2)3/h9,12-19,26-30,33-38H,7-8,10-11,20-25,31-32H2,1-6H3,(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84);10,12-17,21-26,29-34,70H,9,11,18-20,27-28,35H2,1-8H3,(H,72,73,74)(H,75,76,77);9-10,13-18,25-28,31-34H,7-8,11-12,19-24,29-30H2,1-6H3,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);9-10,12-17,21-26,29-30H,8,11,18-20,27-28H2,1-7H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;;;;;;;;;/b66-64+,67-65+,70-68+,71-69+;64-62+,65-63+,68-66+,69-67+;58-56+,59-57+,62-60+,63-61+;54-52+,57-53+,58-55+,59-56+;;;;;;;;;;;;;.
What are the key properties of 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide)?
2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide) has a molecular weight of 5826.35 g/mol, XLogP of 45.44, 105 rotatable bonds, 14 hydrogen bond donors, and 115 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[3-[2,5-dimethyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]phenyl]-2-oxopropyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-propoxyphenyl]diazenyl]benzenesulfonic acid;6-[[4-[[4-[3-[4-[[2,5-dimethyl-4-[[8-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-methoxy-5-methylphenyl]-2-oxopropyl]-5-(hydroxymethyl)-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-4-propoxynaphthalene-2-sulfonic acid;7-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(6-sulfonaphthalen-2-yl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]naphthalene-1-sulfonic acid;2-[[2-methyl-4-[[2-methyl-4-[3-[5-methyl-4-[[5-methyl-4-[(4-sulfophenyl)diazenyl]-2-(3-sulfopropoxy)phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]-2-oxopropyl]-5-propoxyphenyl]diazenyl]-5-propoxyphenyl]diazenyl]benzenesulfonic acid;tridecakis(sulfur trioxide) is sourced from PubChem (CID 158851187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).