Trisodium 4-[5-[(5-Chloro-6-Methyl-2-Methylsulfonylpyrimidin-4-Yl)Amino]-2-Sulfonatophenyl]Diazenyl-1-(2-Methyl-4-Sulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate
[CAS# 72639-25-9]

Identification

• Name: Trisodium 4-[5-[(5-Chloro-6-Methyl-2-Methylsulfonylpyrimidin-4-Yl)Amino]-2-Sulfonatophenyl]Diazenyl-1-(2-Methyl-4-Sulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate
• Synonyms: Trisodium 4-[5-[(5-Chloro-6-Methyl-2-Methylsulfonyl-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Azo-1-(2-Methyl-4-Sulfonato-Phenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[(5-Chloro-6-Methyl-2-Methylsulfonyl-4-Pyrimidinyl)Amino]-2-Sulfonatophenyl]Azo-1-(2-Methyl-4-Sulfonatophenyl)-5-Oxo-4H-Pyrazole-3-Carboxylate; Trisodium 4-[5-[(5-Chloro-2-Mesyl-6-Methyl-Pyrimidin-4-Yl)Amino]-2-Sulfonato-Phenyl]Azo-5-Keto-1-(2-Methyl-4-Sulfonato-Phenyl)-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₂₃H₁₇ClN₇Na₃O₁₁S₃
• Molecular Weight: 768.03
• CAS Registry Number: 72639-25-9
• EINECS: 276-748-9
• SMILES: C4=C(N3N=C(C(N=NC1=CC(=CC=C1[S]([O-])(=O)=O)NC2=NC(=NC(=C2Cl)C)[S](=O)(=O)C)C3=O)C([O-])=O)C(=CC(=C4)[S]([O-])(=O)=O)C.[Na+].[Na+].[Na+]
• InChI: 1S/C23H20ClN7O11S3.3Na/c1-10-8-13(44(37,38)39)5-6-15(10)31-21(32)18(19(30-31)22(33)34)29-28-14-9-12(4-7-16(14)45(40,41)42)26-20-17(24)11(2)25-23(27-20)43(3,35)36;;;/h4-9,18H,1-3H3,(H,33,34)(H,25,26,27)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3
• InChIKey: LLAHDJKIOHCNJG-UHFFFAOYSA-K