cyanomethyl (4-methylphenyl)methanesulfonate

Systemtic Name: cyanomethyl (4-methylphenyl)methanesulfonate Openeye Name: cyanomethyl p-tolylmethanesulfonate CAS Name: (4-methylphenyl)methanesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl (4-methylphenyl)methanesulfonate Traditional Name: p-tolylmethanesulfonic acid cyanomethyl ester Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)OCC#N

InChI

InChI=1S/C10H11NO3S/c1-9-2-4-10(5-3-9)8-15(12,13)14-7-6-11/h2-5H,7-8H2,1H3