Calcium 2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzoate
[CAS# 67355-35-5]

Identification

• Name: Calcium 2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzoate
• Synonyms: Calcium 2-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzoate; Calcium 2-[[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzoate; Calcium 2-((4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl)Azo)Benzoate
• Molecular Formula: C₁₇H₁₂CaN₄O₆S
• Molecular Weight: 440.45
• CAS Registry Number: 67355-35-5
• EINECS: 266-660-9
• SMILES: C3=C(N2N=C(C(N=NC1=C(C([O-])=O)C=CC=C1)C2=O)C)C=CC(=C3)[S]([O-])(=O)=O.[Ca++]
• InChI: 1S/C17H14N4O6S.Ca/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2
• InChIKey: OJGJBDRWZSAKHF-UHFFFAOYSA-L