Calcium 4,4'-bis({1-[(2,4-dimethylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl)-2,2'-biphenyldisulfonate
[CAS# 82312-37-6]

Identification

• Name: Calcium 4,4'-bis({1-[(2,4-dimethylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl)-2,2'-biphenyldisulfonate
• Synonyms: calcium 4,4'-bis[[1-[[(2,4-dimethylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonate
• Molecular Formula: C₃₆H₃₄CaN₆O₁₀S₂
• Molecular Weight: 814.90
• CAS Registry Number: 82312-37-6
• EINECS: 279-929-0
• SMILES: [Ca+2].O=C(Nc1ccc(C)cc1C)C(N=Nc4ccc(c3ccc(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2C)cc3S([O-])(=O)=O)c(c4)S([O-])(=O)=O)C(C)=O
• InChI: 1S/C36H36N6O10S2.Ca/c1-19-7-13-29(21(3)15-19)37-35(45)33(23(5)43)41-39-25-9-11-27(31(17-25)53(47,48)49)28-12-10-26(18-32(28)54(50,51)52)40-42-34(24(6)44)36(46)38-30-14-8-20(2)16-22(30)4;/h7-18,33-34H,1-6H3,(H,37,45)(H,38,46)(H,47,48,49)(H,50,51,52);/q;+2/p-2
• InChIKey: RVUNQQHMJLOQJI-UHFFFAOYSA-L