Sodium hydrogen 5-[(4'-{[8-({2,4-dihydroxy-3-[(2-methoxy-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}-3,3'-dimethoxy-4-biphenylyl)diazenyl]-2-hydroxybenzoate (3:1:1)
[CAS# 93964-62-6]

Identification

• Name: Sodium hydrogen 5-[(4'-{[8-({2,4-dihydroxy-3-[(2-methoxy-5-sulfonatophenyl)diazenyl]phenyl}diazenyl)-1-hydroxy-3,6-disulfonato-2-naphthyl]diazenyl}-3,3'-dimethoxy-4-biphenylyl)diazenyl]-2-hydroxybenzoate (3:1:1)
• Synonyms: trisodium hydrogen 5-[[4'-[[8-[[2,4-dihydroxy-3-[(2-methoxy-5-sulphonatophenyl)azo]phenyl]azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]salicylate
• Molecular Formula: C₄₄H₃₁N₈Na₃O₁₈S₃
• Molecular Weight: 1124.92
• CAS Registry Number: 93964-62-6
• EINECS: 300-907-4
• SMILES: [H+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2OC)c7ccc(N=Nc3c(O)c6c(cc3S([O-])(=O)=O)cc(cc6N=Nc5ccc(O)c(N=Nc4cc(ccc4OC)S([O-])(=O)=O)c5O)S([O-])(=O)=O)c(OC)c7
• InChI: 1S/C44H34N8O18S3.3Na/c1-68-35-13-7-25(71(59,60)61)19-31(35)49-51-40-34(54)12-10-30(42(40)55)48-50-32-20-26(72(62,63)64)14-23-17-38(73(65,66)67)41(43(56)39(23)32)52-47-29-9-5-22(16-37(29)70-3)21-4-8-28(36(15-21)69-2)46-45-24-6-11-33(53)27(18-24)44(57)58;;;/h4-20,53-56H,1-3H3,(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;/q;3*+1/p-3
• InChIKey: AAIVCTRCLFYLHS-UHFFFAOYSA-K