[2-(1-cyanoethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1-cyanoethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1-cyanoethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-cyanoethyl)phenyl] ester IUPAC Name: [2-(1-cyanoethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-cyanoethyl)phenyl] ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C)C#N

InChI

InChI=1S/C16H15NO3S/c1-12-7-9-14(10-8-12)21(18,19)20-16-6-4-3-5-15(16)13(2)11-17/h3-10,13H,1-2H3