Trisodium 5-[(4-{[6-({6-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-5-methoxy-2-methylphenyl)diazenyl]-2-hydroxybenzoate
[CAS# 72152-64-8]

Identification

• Name: Trisodium 5-[(4-{[6-({6-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}amino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-5-methoxy-2-methylphenyl)diazenyl]-2-hydroxybenzoate
• Synonyms: Benzoic acid, 5-[[4-[[6-[[6-[(5-chloro-2-hydroxy-4-nitrophenyl)azo]-5-hydroxy-7-sulfo-2-naphthalenyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-5-methoxy-2-methylphenyl]azo]-2-hydroxy-, trisodium salt
• Molecular Formula: C₄₁H₂₆ClN₈Na₃O₁₅S₂
• Molecular Weight: 1039.24
• CAS Registry Number: 72152-64-8
• SMILES: Cc1cc(c(cc1N=Nc2ccc(c(c2)C(=O)[O-])O)OC)N=Nc3c(cc4cc(ccc4c3O)Nc5ccc6c(c5)cc(c(c6O)N=Nc7cc(c(cc7O)[N+](=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C41H29ClN8O15S2.3Na/c1-18-9-30(34(65-2)16-28(18)45-44-23-5-8-32(51)26(14-23)41(55)56)47-49-38-36(67(62,63)64)13-20-11-22(4-7-25(20)40(38)54)43-21-3-6-24-19(10-21)12-35(66(59,60)61)37(39(24)53)48-46-29-15-27(42)31(50(57)58)17-33(29)52;;;/h3-17,43,51-54H,1-2H3,(H,55,56)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3
• InChIKey: KMOMSWIKVONLQH-UHFFFAOYSA-K