Disodium 4-[[4-[[4-[[6-[(4-Aminobenzoyl)Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Benzoyl]Amino]Phenyl]Azo]-4,5-Dihydro-5-Oxo-1-Phenyl-1H-Pyrazole-3-Carboxylate
[CAS# 6391-23-7]

Identification

• Name: Disodium 4-[[4-[[4-[[6-[(4-Aminobenzoyl)Amino]-1-Hydroxy-3-Sulphonato-2-Naphthyl]Azo]Benzoyl]Amino]Phenyl]Azo]-4,5-Dihydro-5-Oxo-1-Phenyl-1H-Pyrazole-3-Carboxylate
• Synonyms: Disodium 4-[4-[[4-[(N'e)-N'-[6-[(4-Aminobenzoyl)Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Benzoyl]Amino]Phenyl]Azo-5-Oxo-1-Phenyl-4H-Pyrazole-3-Carboxylate; Disodium 4-[4-[[[4-[(N'e)-N'-[6-[[(4-Aminophenyl)-Oxomethyl]Amino]-1-Oxo-3-Sulfonato-2-Naphthylidene]Hydrazino]Phenyl]-Oxomethyl]Amino]Phenyl]Azo-5-Oxo-1-Phenyl-4H-Pyrazole-3-Carboxylate; Disodium 4-[4-[[4-[(N'e)-N'-[6-[(4-Aminobenzoyl)Amino]-1-Keto-3-Sulfonato-2-Naphthylidene]Hydrazino]Benzoyl]Amino]Phenyl]Azo-5-Keto-1-Phenyl-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₄₀H₂₇N₉Na₂O₉S
• Molecular Weight: 855.75
• CAS Registry Number: 6391-23-7
• EINECS: 229-001-6
• SMILES: C2=C(NC(=O)C1=CC=C(N)C=C1)C=CC7=C2C=C([S]([O-])(=O)=O)/C(=N/NC3=CC=C(C=C3)C(=O)NC6=CC=C(N=NC4C(=O)N(N=C4C([O-])=O)C5=CC=CC=C5)C=C6)C7=O.[Na+].[Na+]
• InChI: 1S/C40H29N9O9S.2Na/c41-25-10-6-22(7-11-25)38(52)43-29-18-19-31-24(20-29)21-32(59(56,57)58)33(36(31)50)46-44-27-12-8-23(9-13-27)37(51)42-26-14-16-28(17-15-26)45-47-34-35(40(54)55)48-49(39(34)53)30-4-2-1-3-5-30;;/h1-21,34,44H,41H2,(H,42,51)(H,43,52)(H,54,55)(H,56,57,58);;/q;2*+1/p-2/b46-33-,47-45?
• InChIKey: LIFQYPBRDNISCS-HFEMTGGQSA-L