Disodium 2-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Diazenyl]-5-[4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Benzenesulfonate
[CAS# 72139-23-2]

Identification

• Name: Disodium 2-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Diazenyl]-5-[4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Benzenesulfonate
• Synonyms: Disodium 2-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]-5-[4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Benzenesulfonate; Disodium 2-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]-5-[4-[(2,5,6-Trichloro-4-Pyrimidinyl)Amino]Phenyl]Benzenesulfonate; Disodium 2-[[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]-5-[4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Benzenesulfonate
• Molecular Formula: C₂₆H₁₆Cl₃N₇Na₂O₇S₂
• Molecular Weight: 754.91
• CAS Registry Number: 72139-23-2
• EINECS: 276-379-3
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC=C1C3=CC=C(NC2=NC(=NC(=C2Cl)Cl)Cl)C=C3)N=NC4C(=O)N(N=C4C)C5=CC=C([S]([O-])(=O)=O)C=C5.[Na+].[Na+]
• InChI: 1S/C26H18Cl3N7O7S2.2Na/c1-13-22(25(37)36(35-13)17-7-9-18(10-8-17)44(38,39)40)34-33-19-11-4-15(12-20(19)45(41,42)43)14-2-5-16(6-3-14)30-24-21(27)23(28)31-26(29)32-24;;/h2-12,22H,1H3,(H,30,31,32)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2
• InChIKey: WSUXMBNHGJJTFJ-UHFFFAOYSA-L