Benzoic acid, 4,4'-(1,3-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)azo))bis-, hexasodium salt

Base Information

• Chemical Name: Benzoic acid, 4,4'-(1,3-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)azo))bis-, hexasodium salt
• CAS No.: 83137-16-0
• Deprecated CAS: 203400-93-5,71872-80-5
• Molecular Formula: C46H30 Cl2 N14 O18 S4 . 6 Na
• Molecular Weight: 1397.87038
• European Community (EC) Number: 280-194-3
• DSSTox Substance ID: DTXSID60890404
• Mol file: 83137-16-0.mol

Synonyms:83137-16-0;Benzoic acid, 4,4'-(1,3-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)azo))bis-, hexasodium salt;Benzoic acid, 4,4'-(1,3-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)-2,1-diazenediyl))bis-, sodium salt (1:6);Benzoic acid, 4,4'-[1,3-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)-2,1-diazenediyl]]bis-, sodium salt (1:6);Benzoic acid, 4,4'-[1,3-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)azo]]bis-, hexasodium salt;DTXSID60890404;EINECS 280-194-3;NS00125692;W-111568;Hexasodium p,p'-(m-phenylenebis(imino(6-chloro-1,3,5-triazine-2,4-diyl)imino(8-hydroxy-3,6-disulphonato-1,7-naphthylene)azo))dibenzoate;Hexasodium p,p'-[m-phenylenebis[imino(6-chloro-1,3,5-triazine-2,4-diyl)imino(8-hydroxy-3,6-disulphonato-1,7-naphthylene)azo]]dibenzo ate

Chemical Property of Benzoic acid, 4,4'-(1,3-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)azo))bis-, hexasodium salt

Chemical Property:

• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 32
• Rotatable Bond Count: 12
• Exact Mass: 1395.9039057
• Heavy Atom Count: 90
• Complexity: 2580

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)C(=O)[O-])O)NC6=NC(=NC(=N6)Cl)NC7=C(C8=C(C=C(C=C8C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC9=CC=C(C=C9)C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]