Calcium 2-Chloro-5-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(3-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzenesulphonate
[CAS# 85605-12-5]

Identification

• Name: Calcium 2-Chloro-5-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(3-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzenesulphonate
• Synonyms: Calcium 2-Chloro-5-[[3-Methyl-5-Oxo-1-(3-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzenesulfonate; Calcium 2-Chloro-5-[[5-Keto-3-Methyl-1-(3-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzenesulfonate; Calcium 2-Chloro-5-((4,5-Dihydro-3-Methyl-5-Oxo-1-(3-Sulphonatophenyl)-1H-Pyrazol-4-Yl)Azo)Benzenesulphonate
• Molecular Formula: C₁₆H₁₁CaClN₄O₇S₂
• Molecular Weight: 510.94
• CAS Registry Number: 85605-12-5
• EINECS: 287-903-5
• SMILES: C3=C(N2N=C(C(N=NC1=CC(=C(Cl)C=C1)[S](=O)(=O)[O-])C2=O)C)C=CC=C3[S](=O)(=O)[O-].[Ca++]
• InChI: 1S/C16H13ClN4O7S2.Ca/c1-9-15(19-18-10-5-6-13(17)14(7-10)30(26,27)28)16(22)21(20-9)11-3-2-4-12(8-11)29(23,24)25;/h2-8,15H,1H3,(H,23,24,25)(H,26,27,28);/q;+2/p-2
• InChIKey: UBBVWJHXZPOXOJ-UHFFFAOYSA-L