Trisodium 1-[3-({6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)phenyl]-4-({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
[CAS# 71701-23-0]

Identification

• Name: Trisodium 1-[3-({6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)phenyl]-4-({2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl}diazenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
• Synonyms: 1H-Pyrazole-3-carboxylic acid, 1-[3-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]-4,5-dihydro-4-[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]azo]-5-oxo-, trisodium salt
• Molecular Formula: C₄₀H₂₇N₁₀Na₃O₁₂S₂
• Molecular Weight: 972.80
• CAS Registry Number: 71701-23-0
• SMILES: COc1cc(ccc1N=NC2C(=NN(C2=O)c3cccc(c3)N=Nc4c(cc5cc(ccc5c4O)NC(=O)c6ccc(cc6)N)S(=O)(=O)[O-])C(=O)[O-])N=Nc7cccc(c7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C40H30N10O12S2.3Na/c1-62-32-20-27(44-43-26-5-3-7-29(19-26)63(56,57)58)13-15-31(32)46-48-35-36(40(54)55)49-50(39(35)53)28-6-2-4-25(18-28)45-47-34-33(64(59,60)61)17-22-16-24(12-14-30(22)37(34)51)42-38(52)21-8-10-23(41)11-9-21;;;/h2-20,35,51H,41H2,1H3,(H,42,52)(H,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3
• InChIKey: UIWQFMHHKRSASC-UHFFFAOYSA-K