barium(2+); 4-phenylazanylbenzenesulfonate

Systemtic Name: barium(2+); 4-phenylazanylbenzenesulfonate Openeye Name: 4-anilinobenzenesulfonate; barium(2+) CAS Name: 4-anilinobenzenesulfonate; barium(2+) IUPAC Name: 4-anilinobenzenesulfonate; barium(2+) Traditional Name: 4-anilinobesylate; barium(2+) Formula: C24H20BaN2O6S2 MolecularWeight: 633.8824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Ba+2]

InChI

InChI=1S/2C12H11NO3S.Ba/c2*14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h2*1-9,13H,(H,14,15,16);/q;;+2/p-2