[3-(1,2,3,4-tetrazol-1-yl)phenyl] benzenesulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

InChI

InChI=1S/C13H10N4O3S/c18-21(19,13-7-2-1-3-8-13)20-12-6-4-5-11(9-12)17-10-14-15-16-17/h1-10H