Trisodium 2-{[2-amino-5-hydroxy-6-({4'-[(1-hydroxy-8-{[(4-methylphenyl)sulfonyl]amino}-3,6-disulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxy-4-biphenylyl}diazenyl)-7-sulfo-1-naphthyl]diazenyl}-5-nitrobenzoate
[CAS# 75522-94-0]

Identification

• Name: Trisodium 2-{[2-amino-5-hydroxy-6-({4'-[(1-hydroxy-8-{[(4-methylphenyl)sulfonyl]amino}-3,6-disulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxy-4-biphenylyl}diazenyl)-7-sulfo-1-naphthyl]diazenyl}-5-nitrobenzoate
• Synonyms: Benzoic acid, 2-[[2-amino-5-hydroxy-6-[[4'-[[1-hydroxy-8-[[(4-methylphenyl)sulfonyl]amino]-3,6-disulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-7-sulfo-1-naphthalenyl]azo]-5-nitro-, trisodium salt
• Molecular Formula: C₄₈H₃₄N₉Na₃O₁₉S₄
• Molecular Weight: 1238.06
• CAS Registry Number: 75522-94-0
• EINECS: 278-236-0
• SMILES: [Na+].[Na+].[Na+].[O-][N+](=O)c8ccc(N=Nc6c7cc(c(N=Nc1ccc(cc1OC)c5cc(OC)c(N=Nc4c(cc3cc(cc(NS(=O)(=O)c2ccc(C)cc2)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)cc5)c(O)c7ccc6N)S(O)(=O)=O)c(c8)C([O-])=O
• InChI: 1S/C48H37N9O19S4.3Na/c1-23-4-9-28(10-5-23)77(64,65)56-37-21-29(78(66,67)68)16-26-19-40(79(69,70)71)45(47(59)42(26)37)55-52-36-14-7-25(18-39(36)76-3)24-6-13-35(38(17-24)75-2)51-54-44-41(80(72,73)74)22-31-30(46(44)58)11-12-33(49)43(31)53-50-34-15-8-27(57(62)63)20-32(34)48(60)61;;;/h4-22,56,58-59H,49H2,1-3H3,(H,60,61)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3
• InChIKey: XFVPMHVERUTKNQ-UHFFFAOYSA-K