Trisodium 4-hydroxy-5-[(2-hydroxy-4-{[3-hydroxy-4-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]amino}phenyl)diazenyl]-3-[(4-methoxyphenyl)diazenyl]-2,7-naphthalenedisulfonate
[CAS# 85631-87-4]

Identification

• Name: Trisodium 4-hydroxy-5-[(2-hydroxy-4-{[3-hydroxy-4-({4-[(4-nitro-2-sulfonatophenyl)amino]phenyl}diazenyl)phenyl]amino}phenyl)diazenyl]-3-[(4-methoxyphenyl)diazenyl]-2,7-naphthalenedisulfonate
• Synonyms: trisodium 4-hydroxy-5-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]-3-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate
• Molecular Formula: C₄₁H₂₈N₉Na₃O₁₅S₃
• Molecular Weight: 1051.88
• CAS Registry Number: 85631-87-4
• EINECS: 288-037-0
• SMILES: [Na+].[Na+].[Na+].Oc3cc(ccc3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)Nc7ccc(N=Nc6cc(cc5cc(c(N=Nc4ccc(OC)cc4)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)c(O)c7
• InChI: 1S/C41H31N9O15S3.3Na/c1-65-29-11-6-25(7-12-29)45-49-40-38(68(62,63)64)17-22-16-30(66(56,57)58)21-34(39(22)41(40)53)48-47-32-14-9-27(19-36(32)52)42-26-8-13-31(35(51)18-26)46-44-24-4-2-23(3-5-24)43-33-15-10-28(50(54)55)20-37(33)67(59,60)61;;;/h2-21,42-43,51-53H,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3
• InChIKey: HZRDKBJAWNKKKU-UHFFFAOYSA-K