Trisodium 5-{[6-({4-[(2,4-Dimethyl-6-Sulfonatophenyl)Diazenyl]-2-Methoxy-5-Methylphenyl}Diazenyl)-5-Hydroxy-7-Sulfonato-2-Naphthyl]Amino}-2-Hydroxybenzoate
[CAS# 6227-23-2]

Identification

• Name: Trisodium 5-{[6-({4-[(2,4-Dimethyl-6-Sulfonatophenyl)Diazenyl]-2-Methoxy-5-Methylphenyl}Diazenyl)-5-Hydroxy-7-Sulfonato-2-Naphthyl]Amino}-2-Hydroxybenzoate
• Synonyms: Benzoic acid, 5-[[6-[[4-[(2,4-dimethyl-6-sulfophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-hydroxy-7-sulfo-2-naphthalenyl]amino]-2-hydroxy-, trisodium salt
• Molecular Formula: C₃₃H₂₆N₅Na₃O₁₁S₂
• Molecular Weight: 801.69
• CAS Registry Number: 6227-23-2
• SMILES: Cc1cc(c(c(c1)S(=O)(=O)[O-])N=Nc2cc(c(cc2C)N=Nc3c(cc4cc(ccc4c3O)Nc5ccc(c(c5)C(=O)[O-])O)S(=O)(=O)[O-])OC)C.[Na+].[Na+].[Na+]
• InChI: 1S/C33H29N5O11S2.3Na/c1-16-9-18(3)30(28(10-16)50(43,44)45)37-35-24-15-27(49-4)25(11-17(24)2)36-38-31-29(51(46,47)48)13-19-12-20(5-7-22(19)32(31)40)34-21-6-8-26(39)23(14-21)33(41)42;;;/h5-15,34,39-40H,1-4H3,(H,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3
• InChIKey: ZSJFLGXUONMKEQ-UHFFFAOYSA-K