4-Chloro-2-[[1-(2,5-Dichloro-4-Sulfophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-5-MethylBenzenesulfonic Acid Calcium Salt
[CAS# 94612-72-3]

Identification

• Name: 4-Chloro-2-[[1-(2,5-Dichloro-4-Sulfophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-5-MethylBenzenesulfonic Acid Calcium Salt
• Synonyms: Calcium 2,5-Dichloro-4-[4-(5-Chloro-4-Methyl-2-Sulfonato-Phenyl)Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Calcium 2,5-Dichloro-4-[4-(5-Chloro-4-Methyl-2-Sulfonatophenyl)Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Calcium 2,5-Dichloro-4-[
• Molecular Formula: C₁₇H₁₁CaCl₃N₄O₇S₂
• Molecular Weight: 593.86
• CAS Registry Number: 94612-72-3
• SMILES: C3=C(N2N=C(C(N=NC1=CC(=C(C=C1[S]([O-])(=O)=O)C)Cl)C2=O)C)C(=CC(=C3Cl)[S]([O-])(=O)=O)Cl.[Ca++]
• InChI: 1S/C17H13Cl3N4O7S2.Ca/c1-7-3-15(33(29,30)31)12(4-9(7)18)21-22-16-8(2)23-24(17(16)25)13-5-11(20)14(6-10(13)19)32(26,27)28;/h3-6,16H,1-2H3,(H,26,27,28)(H,29,30,31);/q;+2/p-2
• InChIKey: CLGACZIDUAQRQZ-UHFFFAOYSA-L