barium(2+); 3-(phenylcarbonyl)benzenesulfonate

Systemtic Name: barium(2+); 3-(phenylcarbonyl)benzenesulfonate Openeye Name: barium(2+); 3-benzoylbenzenesulfonate CAS Name: barium(2+); 3-benzoylbenzenesulfonate IUPAC Name: barium(2+); 3-benzoylbenzenesulfonate Traditional Name: barium(2+); 3-benzoylbesylate Formula: C26H18BaO8S2 MolecularWeight: 659.87332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C13H10O4S.Ba/c2*14-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)18(15,16)17;/h2*1-9H,(H,15,16,17);/q;;+2/p-2