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)

C168H141N29O60S15 — CID 158859590

IUPAC8-[[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)
SMILESCCOc1cc(/N=N/c2cc(CO)c(/N=N/c3ccccc3S(=O)(=O)O)cc2OC)c2ccccc2c1/N=N/c1ccc2cc(Nc3ccc(OC)cc3)ccc2c1O.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(C)c(/N=N/c5ccc(/N=N/c6ccc(CO)cc6S(=O)(=O)O)c6ccccc56)cc4OC)ccc3c2)cc1.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(CO)c(/N=N/c5ccc(/N=N/c6ccccc6C)c6ccc(S(=O)(=O)O)cc56)cc4OC)ccc3c2)cc1.Nc1ccc(Nc2ccc3c(O)c(/N=N/c4ccc(/N=N/c5ccc(/N=N/c6ccccc6)cc5OCCCS(=O)(=O)O)c5ccc(S(=O)(=O)O)cc45)ccc3c2)cc1S(=O)(=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/C43H37N7O8S.2C42H35N7O7S.C41H34N8O11S3.9O3S/c1-4-58-40-24-37(48-49-38-22-27(25-51)36(23-39(38)57-3)47-45-34-11-7-8-12-41(34)59(53,54)55)32-9-5-6-10-33(32)42(40)50-46-35-20-13-26-21-29(16-19-31(26)43(35)52)44-28-14-17-30(56-2)18-15-28;1-25-20-39(49-47-37-17-9-27-22-29(12-15-31(27)42(37)51)43-28-10-13-30(55-2)14-11-28)40(56-3)23-38(25)48-45-35-19-18-34(32-6-4-5-7-33(32)35)44-46-36-16-8-26(24-50)21-41(36)57(52,53)54;1-25-6-4-5-7-35(25)44-45-36-18-19-37(34-22-31(57(52,53)54)14-16-33(34)36)46-48-39-23-41(56-3)40(21-27(39)24-50)49-47-38-17-8-26-20-29(11-15-32(26)42(38)51)43-28-9-12-30(55-2)13-10-28;42-34-14-9-28(23-40(34)63(57,58)59)43-27-8-12-31-25(21-27)7-15-38(41(31)50)49-47-36-18-17-35(32-13-11-30(24-33(32)36)62(54,55)56)46-48-37-16-10-29(45-44-26-5-2-1-3-6-26)22-39(37)60-19-4-20-61(51,52)53;9*1-4(2)3/h5-24,44,51-52H,4,25H2,1-3H3,(H,53,54,55);2*4-23,43,50-51H,24H2,1-3H3,(H,52,53,54);1-3,5-18,21-24,43,50H,4,19-20,42H2,(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;;;;;;/b47-45+,49-48+,50-46+;46-44+,48-45+,49-47+;2*45-44+,48-46+,49-47+;;;;;;;;;
InChIKeyJAMIKWVPZAOIJT-HGLJSMTJSA-N
MW4007.12 g/mol
LogP36.73
Rot. Bonds53

About 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)

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) (PubChem CID 158859590) has the molecular formula C168H141N29O60S15 and a molecular weight of 4007.12 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name8-[[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)
PubChem CID158859590
Molecular FormulaC168H141N29O60S15
Molecular Weight4007.12 g/mol
Exact Mass4003.47
IUPAC Name8-[[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)
SMILESCCOc1cc(/N=N/c2cc(CO)c(/N=N/c3ccccc3S(=O)(=O)O)cc2OC)c2ccccc2c1/N=N/c1ccc2cc(Nc3ccc(OC)cc3)ccc2c1O.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(C)c(/N=N/c5ccc(/N=N/c6ccc(CO)cc6S(=O)(=O)O)c6ccccc56)cc4OC)ccc3c2)cc1.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(CO)c(/N=N/c5ccc(/N=N/c6ccccc6C)c6ccc(S(=O)(=O)O)cc56)cc4OC)ccc3c2)cc1.Nc1ccc(Nc2ccc3c(O)c(/N=N/c4ccc(/N=N/c5ccc(/N=N/c6ccccc6)cc5OCCCS(=O)(=O)O)c5ccc(S(=O)(=O)O)cc45)ccc3c2)cc1S(=O)(=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/C43H37N7O8S.2C42H35N7O7S.C41H34N8O11S3.9O3S/c1-4-58-40-24-37(48-49-38-22-27(25-51)36(23-39(38)57-3)47-45-34-11-7-8-12-41(34)59(53,54)55)32-9-5-6-10-33(32)42(40)50-46-35-20-13-26-21-29(16-19-31(26)43(35)52)44-28-14-17-30(56-2)18-15-28;1-25-20-39(49-47-37-17-9-27-22-29(12-15-31(27)42(37)51)43-28-10-13-30(55-2)14-11-28)40(56-3)23-38(25)48-45-35-19-18-34(32-6-4-5-7-33(32)35)44-46-36-16-8-26(24-50)21-41(36)57(52,53)54;1-25-6-4-5-7-35(25)44-45-36-18-19-37(34-22-31(57(52,53)54)14-16-33(34)36)46-48-39-23-41(56-3)40(21-27(39)24-50)49-47-38-17-8-26-20-29(11-15-32(26)42(38)51)43-28-9-12-30(55-2)13-10-28;42-34-14-9-28(23-40(34)63(57,58)59)43-27-8-12-31-25(21-27)7-15-38(41(31)50)49-47-36-18-17-35(32-13-11-30(24-33(32)36)62(54,55)56)46-48-37-16-10-29(45-44-26-5-2-1-3-6-26)22-39(37)60-19-4-20-61(51,52)53;9*1-4(2)3/h5-24,44,51-52H,4,25H2,1-3H3,(H,53,54,55);2*4-23,43,50-51H,24H2,1-3H3,(H,52,53,54);1-3,5-18,21-24,43,50H,4,19-20,42H2,(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;;;;;;/b47-45+,49-48+,50-46+;46-44+,48-45+,49-47+;2*45-44+,48-46+,49-47+;;;;;;;;;
InChIKeyJAMIKWVPZAOIJT-HGLJSMTJSA-N
XLogP36.73
TPSA1373.34 Ų
H-Bond Donors18
H-Bond Acceptors83
Rotatable Bonds53
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004007.12
LogP ≤ 536.73
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1083

Analyze 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) with MolForge

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Related Compounds

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
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
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
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
3-[[4-[[2,5-dimethoxy-4-[[7-sulfo-5-(3-sulfopropoxy)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-2-ethoxy-6-sulfonaphthalen-1-yl]diazenyl]-4-hydroxy-7-(4-methoxyanilino)naphthalene-2-sulfonic acid
CID 137492570
5-[[6-[[4-[[4-[(4-acetamido-2-sulfophenyl)diazenyl]-5-methyl-2-(3-sulfopropoxy)phenyl]diazenyl]-3-methylphenyl]diazenyl]-5-hydroxynaphthalen-2-yl]amino]-2-aminobenzenesulfonic acid;5-amino-2-[[4-[[4-[[6-(4-amino-3-sulfoanilino)-1-hydroxynaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]benzenesulfonic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-5-methoxybenzenesulfonic acid;4-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methyl-5-(3-sulfopropoxy)phenyl]diazenyl]-3-sulfobenzoic acid;2-[[4-[[4-[[1-hydroxy-6-(4-methoxyanilino)naphthalen-2-yl]diazenyl]-5-methyl-2-propoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-5-methoxybenzenesulfonic acid;heptakis(sulfur trioxide)
CID 157096304
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
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
4-[[4-[[3-ethoxy-4-[[1-hydroxy-6-(4-methoxyanilino)-3-sulfonaphthalen-2-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 137492443
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

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCOc1cc(/N=N/c2cc(CO)c(/N=N/c3ccccc3S(=O)(=O)O)cc2OC)c2ccccc2c1/N=N/c1ccc2cc(Nc3ccc(OC)cc3)ccc2c1O.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(C)c(/N=N/c5ccc(/N=N/c6ccc(CO)cc6S(=O)(=O)O)c6ccccc56)cc4OC)ccc3c2)cc1.COc1ccc(Nc2ccc3c(O)c(/N=N/c4cc(CO)c(/N=N/c5ccc(/N=N/c6ccccc6C)c6ccc(S(=O)(=O)O)cc56)cc4OC)ccc3c2)cc1.Nc1ccc(Nc2ccc3c(O)c(/N=N/c4ccc(/N=N/c5ccc(/N=N/c6ccccc6)cc5OCCCS(=O)(=O)O)c5ccc(S(=O)(=O)O)cc45)ccc3c2)cc1S(=O)(=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-[[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)?
The InChIKey is JAMIKWVPZAOIJT-HGLJSMTJSA-N. The full InChI is InChI=1S/C43H37N7O8S.2C42H35N7O7S.C41H34N8O11S3.9O3S/c1-4-58-40-24-37(48-49-38-22-27(25-51)36(23-39(38)57-3)47-45-34-11-7-8-12-41(34)59(53,54)55)32-9-5-6-10-33(32)42(40)50-46-35-20-13-26-21-29(16-19-31(26)43(35)52)44-28-14-17-30(56-2)18-15-28;1-25-20-39(49-47-37-17-9-27-22-29(12-15-31(27)42(37)51)43-28-10-13-30(55-2)14-11-28)40(56-3)23-38(25)48-45-35-19-18-34(32-6-4-5-7-33(32)35)44-46-36-16-8-26(24-50)21-41(36)57(52,53)54;1-25-6-4-5-7-35(25)44-45-36-18-19-37(34-22-31(57(52,53)54)14-16-33(34)36)46-48-39-23-41(56-3)40(21-27(39)24-50)49-47-38-17-8-26-20-29(11-15-32(26)42(38)51)43-28-9-12-30(55-2)13-10-28;42-34-14-9-28(23-40(34)63(57,58)59)43-27-8-12-31-25(21-27)7-15-38(41(31)50)49-47-36-18-17-35(32-13-11-30(24-33(32)36)62(54,55)56)46-48-37-16-10-29(45-44-26-5-2-1-3-6-26)22-39(37)60-19-4-20-61(51,52)53;9*1-4(2)3/h5-24,44,51-52H,4,25H2,1-3H3,(H,53,54,55);2*4-23,43,50-51H,24H2,1-3H3,(H,52,53,54);1-3,5-18,21-24,43,50H,4,19-20,42H2,(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;;;;;;/b47-45+,49-48+,50-46+;46-44+,48-45+,49-47+;2*45-44+,48-46+,49-47+;;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 4007.12 g/mol, XLogP of 36.73, 53 rotatable bonds, 18 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158859590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).