Calcium 4,4'-bis{[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2,2'-biphenyldisulfonate
[CAS# 85005-82-9]

Identification

• Name: Calcium 4,4'-bis{[3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-2,2'-biphenyldisulfonate
• Synonyms: calcium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-p-tolyl-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonate
• Molecular Formula: C₃₄H₂₈CaN₈O₈S₂
• Molecular Weight: 780.84
• CAS Registry Number: 85005-82-9
• EINECS: 285-013-1
• SMILES: [Ca+2].Cc1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=NC5C(\C)=N/N(c4ccc(C)cc4)C5=O)C6=O
• InChI: 1S/C34H30N8O8S2.Ca/c1-19-5-11-25(12-6-19)41-33(43)31(21(3)39-41)37-35-23-9-15-27(29(17-23)51(45,46)47)28-16-10-24(18-30(28)52(48,49)50)36-38-32-22(4)40-42(34(32)44)26-13-7-20(2)8-14-26;/h5-18,31-32H,1-4H3,(H,45,46,47)(H,48,49,50);/q;+2/p-2
• InChIKey: JBVRRKXINLZOTR-UHFFFAOYSA-L