Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)

Base Information

• Chemical Name: Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)
• CAS No.: 5280-69-3
• Deprecated CAS: 71216-07-4
• Molecular Formula: C16H14 N4 O7 S . 1/2 Ba
• Molecular Weight: 948.05104
• European Community (EC) Number: 226-104-8
• DSSTox Substance ID: DTXSID90890598
• Nikkaji Number: J35.653K
• Mol file: 5280-69-3.mol

Synonyms:5280-69-3;Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate);EINECS 226-104-8;DTXSID90890598;Benzenesulfonic acid, 3-nitro-4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)-, barium salt (2:1);Barium bis[3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]benzenesulfonate];Benzenesulfonic acid, 3-nitro-4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)-, barium salt (2:1)

Chemical Property of Barium bis(3-nitro-4-((1-(phenylcarbamoyl)acetonyl)azo)benzenesulphonate)

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 948.006237
• Heavy Atom Count: 57
• Complexity: 709

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Ba+2]

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