[(E)-2-cyanoethenyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-2-cyanoethenyl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-cyanovinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-2-cyanoethenyl] ester IUPAC Name: [(E)-2-cyanoethenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-cyanovinyl] ester Formula: C10H9NO3S MolecularWeight: 223.24836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h2-6,8H,1H3/b8-2+