Benzoic acid, 2-((1-amino-7-((4-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-2-methoxyphenyl)azo)-8-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-5-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-

Base Information

• Chemical Name: Benzoic acid, 2-((1-amino-7-((4-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-2-methoxyphenyl)azo)-8-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-5-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-
• CAS No.: 16894-32-9
• Molecular Formula: C58H41 N15 O24 S4
• Molecular Weight: 1460.29
• European Community (EC) Number: 240-936-9
• DSSTox Substance ID: DTXSID3066130
• Nikkaji Number: J306.698C

Synonyms:16894-32-9;C.I. Direct Black 122;2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-2-methoxyphenyl]diazenyl]-8-hydroxy-3,6-disulfonaphthalen-2-yl]diazenyl]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid;Benzoic acid, 2-((1-amino-7-((4-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-2-methoxyphenyl)azo)-8-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-5-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-;Benzoic acid, 2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-nap;Benzoic acid, 2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-2-methoxyphenyl]azo]-8-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-;Direct Black 122;Cuprophenyl Grey GRL;DTXSID3066130;SSYZQXVEUDAUOJ-UHFFFAOYSA-N;EINECS 240-936-9;NS00021034;Benzoic acid, 2-(2-(1-amino-7-(2-(4-(2-(6-amino-5-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-2-methoxyphenyl)diazenyl)-8-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-5-(2-(6-amino-5-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-

Chemical Property of Benzoic acid, 2-((1-amino-7-((4-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-2-methoxyphenyl)azo)-8-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-5-((6-amino-5-((3-carboxy-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-

Chemical Property:

• PKA: -1.14±0.40(Predicted)
• Density: 1.90±0.1 g/cm3(Predicted)
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 39
• Rotatable Bond Count: 20
• Exact Mass: 1459.1331719
• Heavy Atom Count: 101
• Complexity: 3620

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: COC1=C(C=CC(=C1)N=NC2=C(C=C3C(=C2O)C=CC(=C3N=NC4=CC(=C(C=C4)O)C(=O)O)N)S(=O)(=O)O)N=NC5=C(C6=C(C(=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N=NC7=C(C=C(C=C7)N=NC8=C(C=C9C(=C8O)C=CC(=C9N=NC1=CC(=C(C=C1)O)C(=O)O)N)S(=O)(=O)O)C(=O)O)N)O

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