4-[[2,5-Dimethoxy-4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid, Sodium Salt
[CAS 85536-88-5]

Identification

• Name: 4-[[2,5-Dimethoxy-4-[[2-(Sulphooxy)Ethyl]Sulphonyl]Phenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid, Sodium Salt
• Synonyms: Trisodium 4-[2,5-Dimethoxy-4-(2-Sulfonatooxyethylsulfonyl)Phenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 4-[2,5-Dimethoxy-4-(2-Sulfatoethylsulfonyl)Phenyl]Azo-5-Keto-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; 1H-Pyrazole-3-Carboxylic Acid, 4-((2,5-Dimethoxy-4-((2-(Sulfooxy)Ethyl)Sulfonyl)Phenyl)Azo)-4,5-Dihydro-5-Oxo-1-(4-Sulfophenyl)-, Sodium Salt
• Molecular Formula: C₂₀H₁₇N₄Na₃O₁₄S₃
• Molecular Weight: 702.52
• CAS Registry Number: 85536-88-5
• EINECS: 287-575-3
• SMILES: C1=C(OC)C(=CC(=C1[S](=O)(=O)CCO[S]([O-])(=O)=O)OC)N=NC2C(=O)N(N=C2C([O-])=O)C3=CC=C([S]([O-])(=O)=O)C=C3.[Na+].[Na+].[Na+]
• InChI: 1S/C20H20N4O14S3.3Na/c1-36-14-10-16(39(28,29)8-7-38-41(33,34)35)15(37-2)9-13(14)21-22-17-18(20(26)27)23-24(19(17)25)11-3-5-12(6-4-11)40(30,31)32;;;/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3
• InChIKey: DOBSNRLRWWJBIU-UHFFFAOYSA-K