Disodium 1-(3-Aminophenyl)-4,5-Dihydro-4-[[4-[[[5-Hydroxy-6-(Phenylazo)-7-Sulphonato-2-Naphthyl]Amino]Carbonyl]Phenyl]Azo]-5-Oxo-1H-Pyrazole-3-Carboxylate
[CAS# 5852-25-5]

Identification

• Name: Disodium 1-(3-Aminophenyl)-4,5-Dihydro-4-[[4-[[[5-Hydroxy-6-(Phenylazo)-7-Sulphonato-2-Naphthyl]Amino]Carbonyl]Phenyl]Azo]-5-Oxo-1H-Pyrazole-3-Carboxylate
• Synonyms: Disodium 1-(3-Aminophenyl)-5-Oxo-4-[4-[[(6E)-5-Oxo-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Carbamoyl]Phenyl]Azo-4H-Pyrazole-3-Carboxylate; Disodium 1-(3-Aminophenyl)-5-Oxo-4-[4-[Oxo-[[(6E)-5-Oxo-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Amino]Methyl]Phenyl]Azo-4H-Pyrazole-3-Carboxylate; Disodium 1-(3-Aminophenyl)-5-Keto-4-[4-[[(6E)-5-Keto-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Carbamoyl]Phenyl]Azo-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₃₃H₂₂N₈Na₂O₈S
• Molecular Weight: 736.63
• CAS Registry Number: 5852-25-5
• EINECS: 227-461-2
• SMILES: C4=C(NC(=O)C3=CC=C(N=NC1C(=O)N(N=C1C([O-])=O)C2=CC=CC(=C2)N)C=C3)C=CC6=C4C=C([S]([O-])(=O)=O)/C(=N/NC5=CC=CC=C5)C6=O.[Na+].[Na+]
• InChI: 1S/C33H24N8O8S.2Na/c34-20-5-4-8-24(17-20)41-32(44)28(29(40-41)33(45)46)39-37-22-11-9-18(10-12-22)31(43)35-23-13-14-25-19(15-23)16-26(50(47,48)49)27(30(25)42)38-36-21-6-2-1-3-7-21;;/h1-17,28,36H,34H2,(H,35,43)(H,45,46)(H,47,48,49);;/q;2*+1/p-2/b38-27-,39-37?
• InChIKey: KMSOQDOOWNLWSX-JDWNBUBUSA-L