[4-(3-cyano-2-oxidanylidene-propanehydrazonoyl)phenyl] benzenesulfonate

Systemtic Name: [4-(3-cyano-2-oxidanylidene-propanehydrazonoyl)phenyl] benzenesulfonate Openeye Name: [4-(3-cyano-2-oxo-propanehydrazonoyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(1E)-3-cyano-1-hydrazinylidene-2-oxopropyl]phenyl] ester IUPAC Name: [4-(3-cyano-2-oxopropanehydrazonoyl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(3-cyano-2-keto-propanehydrazonoyl)phenyl] ester Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=NN)C(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C(=N\N)/C(=O)CC#N

InChI

InChI=1S/C16H13N3O4S/c17-11-10-15(20)16(19-18)12-6-8-13(9-7-12)23-24(21,22)14-4-2-1-3-5-14/h1-9H,10,18H2/b19-16+