cyanomethyl 4-methylbenzenesulfonate

Systemtic Name: cyanomethyl 4-methylbenzenesulfonate Openeye Name: cyanomethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid cyanomethyl ester Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,7H2,1H3