4-[2-[1-Hydroxy-6-[[[[5-Hydroxy-6-(2-Phenyldiazenyl)-7-Sulfo-2-Naphthalenyl]Amino]Carbonyl]Amino]-3-Sulfo-2-Naphthalenyl]Diazenyl]-Benzoic Acid Sodium Salt (1:3)
[CAS# 6598-63-6]

Identification

• Name: 4-[2-[1-Hydroxy-6-[[[[5-Hydroxy-6-(2-Phenyldiazenyl)-7-Sulfo-2-Naphthalenyl]Amino]Carbonyl]Amino]-3-Sulfo-2-Naphthalenyl]Diazenyl]-Benzoic Acid Sodium Salt (1:3)
• Synonyms: Trisodium 4-[(N'z)-N'-[3-Oxo-6-[[(6E)-5-Oxo-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Carbamoylamino]-1-Sulfonato-2-Naphthylidene]Hydrazino]Benzoate; Trisodium 4-[(N'z)-N'-[3-Oxo-6-[[Oxo-[[(6E)-5-Oxo-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Amino]Methyl]Amino]-1-Sulfonato-2-Naphthylidene]Hydrazino]Benzoate; Trisodium 4-[(N'z)-N'-[3-Keto-6-[[(6E)-5-Keto-6-(Phenylhydrazono)-7-Sulfonato-2-Naphthyl]Carbamoylamino]-1-Sulfonato-2-Naphthylidene]Hydrazino]Benzoate
• Molecular Formula: C₃₄H₂₁N₆Na₃O₁₁S₂
• Molecular Weight: 822.66
• CAS Registry Number: 6598-63-6
• EINECS: 229-539-1
• SMILES: C4=C(NC(=O)NC3=CC2=CC(=O)C(=N/NC1=CC=C(C=C1)C([O-])=O)/C(=C2C=C3)[S]([O-])(=O)=O)C=CC6=C4C=C([S]([O-])(=O)=O)/C(=N/NC5=CC=CC=C5)C6=O.[Na+].[Na+].[Na+]
• InChI: 1S/C34H24N6O11S2.3Na/c41-27-16-19-14-24(11-13-26(19)32(53(49,50)51)29(27)39-38-22-8-6-18(7-9-22)33(43)44)36-34(45)35-23-10-12-25-20(15-23)17-28(52(46,47)48)30(31(25)42)40-37-21-4-2-1-3-5-21;;;/h1-17,37-38H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-29-,40-30-
• InChIKey: VYQMHAIWOKHKJF-KOGOXIRUSA-K