Calcium bis[4-({1-[(4-methoxyphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl)-3-nitrobenzenesulfonate]
[CAS# 85005-80-7]

Identification

• Name: Calcium bis[4-({1-[(4-methoxyphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl)-3-nitrobenzenesulfonate]
• Synonyms: calcium 4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulfonate; calcium bis[4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
• Molecular Formula: C₃₄H₃₀CaN₈O₁₆S₂
• Molecular Weight: 910.85
• CAS Registry Number: 85005-80-7
• EINECS: 310-211-2
• SMILES: [Ca+2].COc2ccc(NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(C)=O)cc2.[O-]S(=O)(=O)c2ccc(N=NC(C(C)=O)C(=O)Nc1ccc(OC)cc1)c(c2)[N+]([O-])=O
• InChI: 1S/2C17H16N4O8S.Ca/c2*1-10(22)16(17(23)18-11-3-5-12(29-2)6-4-11)20-19-14-8-7-13(30(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2
• InChIKey: LJZNJAZFGMKGKA-UHFFFAOYSA-L