Trisodium 4,5-Dihydro-4-[[4-(6-Methyl-7-Sulphonatobenzothiazol-2-Yl)Phenyl]Azo]-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
[CAS# 6442-00-8]

Identification

• Name: Trisodium 4,5-Dihydro-4-[[4-(6-Methyl-7-Sulphonatobenzothiazol-2-Yl)Phenyl]Azo]-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
• Synonyms: Trisodium 4-[4-(6-Methyl-7-Sulfonato-1,3-Benzothiazol-2-Yl)Phenyl]Azo-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 5-Keto-4-[4-(6-Methyl-7-Sulfonato-1,3-Benzothiazol-2-Yl)Phenyl]Azo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; 1H-Pyrazole-3-Carboxylic Acid, 4,5-Dihydro-4-((4-(6-Methyl-7-Sulfo-2-Benzothiazolyl)Phenyl)Azo)-5-Oxo-1-(4-Sulfophenyl)-, Trisodium Salt
• Molecular Formula: C₂₄H₁₄N₅Na₃O₉S₃
• Molecular Weight: 681.55
• CAS Registry Number: 6442-00-8
• EINECS: 229-235-9
• SMILES: C2=C1N=C(SC1=C([S]([O-])(=O)=O)C(=C2)C)C5=CC=C(N=NC3C(=O)N(N=C3C([O-])=O)C4=CC=C([S]([O-])(=O)=O)C=C4)C=C5.[Na+].[Na+].[Na+]
• InChI: 1S/C24H17N5O9S3.3Na/c1-12-2-11-17-20(21(12)41(36,37)38)39-22(25-17)13-3-5-14(6-4-13)26-27-18-19(24(31)32)28-29(23(18)30)15-7-9-16(10-8-15)40(33,34)35;;;/h2-11,18H,1H3,(H,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3
• InChIKey: NYNDYBLXCWXHKE-UHFFFAOYSA-K