Trisodium 7-[(4'-{[6-(benzoylamino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-3,3'-dimethoxy-4-biphenylyl)diazenyl]-8-hydroxy-1,6-naphthalenedisulfonate
[CAS# 79135-81-2]

Identification

• Name: Trisodium 7-[(4'-{[6-(benzoylamino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-3,3'-dimethoxy-4-biphenylyl)diazenyl]-8-hydroxy-1,6-naphthalenedisulfonate
• Synonyms: trisodium 7-[[4'-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-8-hydroxynaphthalene-1,6-disulphonate
• Molecular Formula: C₄₁H₂₈N₅Na₃O₁₄S₃
• Molecular Weight: 979.85
• CAS Registry Number: 79135-81-2
• EINECS: 279-081-1
• SMILES: [Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cccc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(N=Nc6c(cc5cc(NC(=O)c4ccccc4)ccc5c6O)S([O-])(=O)=O)c(OC)c7
• InChI: 1S/C41H31N5O14S3.3Na/c1-59-31-18-23(24-12-16-30(32(19-24)60-2)44-46-38-34(62(53,54)55)20-25-9-6-10-33(61(50,51)52)36(25)40(38)48)11-15-29(31)43-45-37-35(63(56,57)58)21-26-17-27(13-14-28(26)39(37)47)42-41(49)22-7-4-3-5-8-22;;;/h3-21,47-48H,1-2H3,(H,42,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3
• InChIKey: ZIDZRFIGBBNBQM-UHFFFAOYSA-K