Trisodium 4-[5-[(2,3-Dichloroquinoxaline-6-Carbonyl)Amino]-2-Sulfonatophenyl]Diazenyl-1-(2-Methyl-4-Sulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate
[CAS# 72139-14-1]

Identification

• Name: Trisodium 4-[5-[(2,3-Dichloroquinoxaline-6-Carbonyl)Amino]-2-Sulfonatophenyl]Diazenyl-1-(2-Methyl-4-Sulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate
• Synonyms: Trisodium 4-[5-[(2,3-Dichloroquinoxaline-6-Carbonyl)Amino]-2-Sulfonato-Phenyl]Azo-1-(2-Methyl-4-Sulfonato-Phenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[[(2,3-Dichloro-6-Quinoxalinyl)-Oxomethyl]Amino]-2-Sulfonatophenyl]Azo-1-(2-Methyl-4-Sulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[(2,3-Dichloroquinoxaline-6-Carbonyl)Amino]-2-Sulfonato-Phenyl]Azo-5-Keto-1-(2-Methyl-4-Sulfonato-Phenyl)-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₂₆H₁₄Cl₂N₇Na₃O₁₀S₂
• Molecular Weight: 788.43
• CAS Registry Number: 72139-14-1
• EINECS: 276-370-4
• SMILES: C5=C(N4N=C(C(N=NC1=CC(=CC=C1[S]([O-])(=O)=O)NC(=O)C3=CC2=NC(=C(Cl)N=C2C=C3)Cl)C4=O)C([O-])=O)C(=CC(=C5)[S]([O-])(=O)=O)C.[Na+].[Na+].[Na+]
• InChI: 1S/C26H17Cl2N7O10S2.3Na/c1-11-8-14(46(40,41)42)4-6-18(11)35-25(37)20(21(34-35)26(38)39)33-32-17-10-13(3-7-19(17)47(43,44)45)29-24(36)12-2-5-15-16(9-12)31-23(28)22(27)30-15;;;/h2-10,20H,1H3,(H,29,36)(H,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3
• InChIKey: QVDFDCWLEKWNMS-UHFFFAOYSA-K