Trisodium 5-[(E)-{2-amino-4-[(Z)-{4-[(E)-2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-ONN-azoxy]phenyl}diazenyl]-1-naphthalenesulfonate
[CAS# 89923-61-5]

Identification

• Name: Trisodium 5-[(E)-{2-amino-4-[(Z)-{4-[(E)-2-(4-nitro-2-sulfonatophenyl)vinyl]-3-sulfonatophenyl}-ONN-azoxy]phenyl}diazenyl]-1-naphthalenesulfonate
• Synonyms: 1-Naphthalenesulfonic acid, 5-((2-amino-4-((4-(2-(4-nitro-2-sulfophenyl)ethenyl)-3-sulfophenyl)-ONN-azoxy)phenyl)azo)-, trisodium salt
• Molecular Formula: C₃₀H₁₉N₆Na₃O₁₂S₃
• Molecular Weight: 820.67
• CAS Registry Number: 89923-61-5
• SMILES: [Na+].[Na+].[Na+].[O-][N+](=O)c1ccc(c(c1)S([O-])(=O)=O)\C=C\c2ccc(cc2S([O-])(=O)=O)[N+](\[O-])=N\c5cc(N)c(/N=N/c4c3cccc(c3ccc4)S([O-])(=O)=O)cc5
• InChI: 1S/C30H22N6O12S3.3Na/c31-25-15-20(11-14-27(25)33-32-26-5-1-4-24-23(26)3-2-6-28(24)49(40,41)42)34-35(37)21-12-9-18(29(16-21)50(43,44)45)7-8-19-10-13-22(36(38)39)17-30(19)51(46,47)48;;;/h1-17H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3/b8-7+,33-32+,35-34-
• InChIKey: UPKHGZQECKRLJA-MFGQIEHOSA-K