barium(2+); N-phenylaniline; sulfate

Systemtic Name: barium(2+); N-phenylaniline; sulfate Openeye Name: barium(2+); N-phenylaniline; sulfate CAS Name: barium(2+); N-phenylaniline; sulfate IUPAC Name: barium(2+); N-phenylaniline; sulfate Traditional Name: barium(2+); diphenylamine; sulfate Formula: C12H11BaNO4S MolecularWeight: 402.61204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N.Ba.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;1-5(2,3)4/h1-10,13H;;(H2,1,2,3,4)/q;+2;/p-2