barium(2+); 4-phenylbenzenesulfonate

Systemtic Name: barium(2+); 4-phenylbenzenesulfonate Openeye Name: barium(2+); 4-phenylbenzenesulfonate CAS Name: barium(2+); 4-phenylbenzenesulfonate IUPAC Name: barium(2+); 4-phenylbenzenesulfonate Traditional Name: barium(2+); 4-phenylbesylate Formula: C24H18BaO6S2 MolecularWeight: 603.85312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H10O3S.Ba/c2*13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h2*1-9H,(H,13,14,15);/q;;+2/p-2