trisodium 3-[4-[4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-4-hydroxy-naphthalene-1,5-disulfonate
[CAS# 94944-81-7]

Identification

• Name: trisodium 3-[4-[4-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)azo]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-4-hydroxy-naphthalene-1,5-disulfonate
• Synonyms: trisodium 4-hydroxy-3-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,5-disulphonate
• Molecular Formula: C₄₀H₂₈N₅Na₃O₁₃S₃
• Molecular Weight: 951.84
• CAS Registry Number: 94944-81-7
• EINECS: 305-659-0
• SMILES: [Na+].[Na+].[Na+].COc4cc(ccc4N=Nc3c(cc2cc(Nc1ccccc1)ccc2c3O)S([O-])(=O)=O)c7ccc(N=Nc6cc(c5cccc(c5c6O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c7
• InChI: 1S/C40H31N5O13S3.3Na/c1-57-32-18-22(11-15-29(32)42-44-31-21-35(60(51,52)53)28-9-6-10-34(59(48,49)50)37(28)40(31)47)23-12-16-30(33(19-23)58-2)43-45-38-36(61(54,55)56)20-24-17-26(13-14-27(24)39(38)46)41-25-7-4-3-5-8-25;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3
• InChIKey: WXXMSMOSMANOCN-UHFFFAOYSA-K