1-cyanopropan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-cyanopropan-2-yl 4-methylbenzenesulfonate Openeye Name: (2-cyano-1-methyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-cyanopropan-2-yl ester IUPAC Name: 1-cyanopropan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyano-1-methyl-ethyl) ester Formula: C11H13NO3S MolecularWeight: 240.283475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC([13CH3])CC#N

InChI

InChI=1S/C11H13NO3S/c1-9-3-5-11(6-4-9)16(13,14)15-10(2)7-8-12/h3-6,10H,7H2,1-2H3/i2+1