[4-(cyanomethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(cyanomethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(cyanomethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(cyanomethyl)phenyl] ester Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C15H13NO3S/c1-12-2-8-15(9-3-12)20(17,18)19-14-6-4-13(5-7-14)10-11-16/h2-9H,10H2,1H3