Barium Bis[3-Nitro-4-[[1-(Phenylcarbamoyl)Acetonyl]Azo]Benzenesulphonate]
[CAS# 5280-69-3]

Identification

• Name: Barium Bis[3-Nitro-4-[[1-(Phenylcarbamoyl)Acetonyl]Azo]Benzenesulphonate]
• Synonyms: Barium(+2) Cation; 3-Nitro-4-[2-Oxo-1-(Phenylcarbamoyl)Propyl]Azo-Benzenesulfonate; 4-[1-(Anilino-Oxomethyl)-2-Oxopropyl]Azo-3-Nitrobenzenesulfonate; Barium(+2) Cation; Barium(+2) Cation; 4-[2-Keto-1-(Phenylcarbamoyl)Propyl]Azo-3-Nitro-Benzenesulfonate
• Molecular Formula: C₃₂H₂₆BaN₈O₁₄S₂
• Molecular Weight: 948.06
• CAS Registry Number: 5280-69-3
• EINECS: 226-104-8
• SMILES: C1=C([N+]([O-])=O)C(=CC=C1[S]([O-])(=O)=O)N=NC(C(=O)NC2=CC=CC=C2)C(=O)C.C3=C([N+]([O-])=O)C(=CC=C3[S]([O-])(=O)=O)N=NC(C(=O)NC4=CC=CC=C4)C(=O)C.[Ba++]
• InChI: 1S/2C16H14N4O7S.Ba/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2
• InChIKey: HRCWDEIZUGFKOT-UHFFFAOYSA-L