[2-(1-cyanoethyl)phenyl] benzenesulfonate

Systemtic Name: [2-(1-cyanoethyl)phenyl] benzenesulfonate Openeye Name: [2-(1-cyanoethyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(1-cyanoethyl)phenyl] ester IUPAC Name: [2-(1-cyanoethyl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(1-cyanoethyl)phenyl] ester Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C#N)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO3S/c1-12(11-16)14-9-5-6-10-15(14)19-20(17,18)13-7-3-2-4-8-13/h2-10,12H,1H3