benzoic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide

Systemtic Name: benzoic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide Openeye Name: benzoic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide CAS Name: benzoic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide IUPAC Name: benzoic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide Traditional Name: benzoic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4.C7H6O2/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18;8-7(9)6-4-2-1-3-5-6/h1-16H;1-5H,(H,8,9)