5-(((3-Carboxy-4-((1-((2-methoxy-5-sulphoanilino)carbonyl)-2-oxopropyl)azo)anilino)carbonyl)amino)-2-((2-oxo-1-((4-sulphoanilino)carbonyl)propyl)azo)benzoic acid, sodium salt

Base Information

• Chemical Name: 5-(((3-Carboxy-4-((1-((2-methoxy-5-sulphoanilino)carbonyl)-2-oxopropyl)azo)anilino)carbonyl)amino)-2-((2-oxo-1-((4-sulphoanilino)carbonyl)propyl)azo)benzoic acid, sodium salt
• CAS No.: 6391-32-8
• Molecular Formula: C36H32 N8 O16 S2 . 4 Na
• Molecular Weight: 988.79
• European Community (EC) Number: 303-253-8,613-400-0
• DSSTox Substance ID: DTXSID801340364
• Mol file: 6391-32-8.mol

Synonyms:EINECS 303-253-8;6391-32-8;5-(((3-Carboxy-4-((1-((2-methoxy-5-sulphoanilino)carbonyl)-2-oxopropyl)azo)anilino)carbonyl)amino)-2-((2-oxo-1-((4-sulphoanilino)carbonyl)propyl)azo)benzoic acid, sodium salt;5,5'-(Carbonyldiimino)-2-((1-((2-methoxy-5-sulfophenyl)amino)-1,3-dioxo-2-butyl)azo)-2'-((1'-((4'-sulfophenyl)amino)-1',3'-dioxo-2'-butyl)azo)bis(benzoic acid), tetrasodium salt;94159-73-6;Benzoic acid, 5-((((3-carboxy-4-((1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)amino)carbonyl)amino)-2-((2-oxo-1-(((4-sulfophenyl)amino)carbonyl)propyl)azo)-, tetrasodium salt;Benzoic acid, 5-((((3-carboxy-4-(2-(1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)phenyl)amino)carbonyl)amino)-2-(2-(2-oxo-1-(((4-sulfophenyl)amino)carbonyl)propyl)diazenyl)-, sodium salt (1:4);Benzoic acid, 5-[[[[3-carboxy-4-[[1-[[(2-methoxy-5-sulfophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]amino]carbonyl]amino]-2-[[2-oxo-1-[[(4-sulfophenyl)amino]carbonyl]propyl]azo]-, tetrasodium salt;C36H32N8O16S2.4Na;C36-H32-N8-O16-S2.4Na;C.I. Direct Yellow 69, tetrasodium salt;5-[[[3-carboxy-4-[[1-[(2-methoxy-5-sulphoanilino)carbonyl]-2-oxopropyl]azo]anilino]carbonyl]amino]-2-[[2-oxo-1-[(4-sulphoanilino)carbonyl]propyl]azo]benzoic acid, sodium salt;Benzoic acid, 5-[[[[3-carboxy-4-[2-[1-[[(2-methoxy-5-sulfophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]phenyl]amino]carbonyl]amino]-2-[2-[2-oxo-1-[[(4-sulfophenyl)amino]carbonyl]propyl]diazenyl]-, sodium salt (1:4);C36H32N8O16S2.xNa;DTXSID801340364;C36-H32-N8-O16-S2.x-Na

Chemical Property of 5-(((3-Carboxy-4-((1-((2-methoxy-5-sulphoanilino)carbonyl)-2-oxopropyl)azo)anilino)carbonyl)amino)-2-((2-oxo-1-((4-sulphoanilino)carbonyl)propyl)azo)benzoic acid, sodium salt

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 13
• Exact Mass: 984.06554631
• Heavy Atom Count: 66
• Complexity: 1930

Purity/Quality:

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• Canonical SMILES: CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)[O-])OC)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

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