Calcium bis[4-({1-[(4-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl)-3-nitrobenzenesulfonate]
[CAS# 85702-52-9]

Identification

• Name: Calcium bis[4-({1-[(4-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl)-3-nitrobenzenesulfonate]
• Synonyms: calcium bis[4-[[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
• Molecular Formula: C₃₄H₃₀CaN₈O₁₄S₂
• Molecular Weight: 878.86
• CAS Registry Number: 85702-52-9
• EINECS: 288-243-0
• SMILES: [Ca+2].Cc1ccc(cc1)NC(=O)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O.Cc1ccc(cc1)NC(=O)C(N=Nc2ccc(cc2[N+]([O-])=O)S([O-])(=O)=O)C(C)=O
• InChI: 1S/2C17H16N4O7S.Ca/c2*1-10-3-5-12(6-4-10)18-17(23)16(11(2)22)20-19-14-8-7-13(29(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: KAPVBSSUEGFASX-UHFFFAOYSA-L