[4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl] benzenesulfonate Openeye Name: [4-[(E)-2-cyano-2-(4-nitrophenyl)vinyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-2-cyano-2-(4-nitrophenyl)vinyl]phenyl] ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(/C#N)\C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5S/c22-15-18(17-8-10-19(11-9-17)23(24)25)14-16-6-12-20(13-7-16)28-29(26,27)21-4-2-1-3-5-21/h1-14H/b18-14-