Tetrasodium 7-({4'-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxy-4-biphenylyl}diazenyl)-8-hydroxy-1,3,6-naphthalenetrisulfonate
[CAS# 85135-91-7]

Identification

• Name: Tetrasodium 7-({4'-[(6-anilino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-3,3'-dimethoxy-4-biphenylyl}diazenyl)-8-hydroxy-1,3,6-naphthalenetrisulfonate
• Synonyms: tetrasodium 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3,6-trisulphonate
• Molecular Formula: C₄₀H₂₇N₅Na₄O₁₆S₄
• Molecular Weight: 1053.89
• CAS Registry Number: 85135-91-7
• EINECS: 285-712-1
• SMILES: [Na+].[Na+].[Na+].[Na+].COc3cc(ccc3N=Nc2c(cc1cc(cc(c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c7ccc(N=Nc6c(cc5cc(Nc4ccccc4)ccc5c6O)S([O-])(=O)=O)c(OC)c7
• InChI: 1S/C40H31N5O16S4.4Na/c1-60-31-16-21(8-12-29(31)42-44-37-34(64(54,55)56)18-23-14-26(10-11-28(23)39(37)46)41-25-6-4-3-5-7-25)22-9-13-30(32(17-22)61-2)43-45-38-35(65(57,58)59)19-24-15-27(62(48,49)50)20-33(63(51,52)53)36(24)40(38)47;;;;/h3-20,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;/q;4*+1/p-4
• InChIKey: SWCCCMBPIOGJSD-UHFFFAOYSA-J