[(Z)-1-cyano-1-phenyl-prop-1-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-1-cyano-1-phenyl-prop-1-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [(Z)-2-cyano-1-methyl-2-phenyl-vinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1-cyano-1-phenylprop-1-en-2-yl] ester IUPAC Name: [(Z)-1-cyano-1-phenylprop-1-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-2-cyano-1-methyl-2-phenyl-vinyl] ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=C(C#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C(\C#N)/C2=CC=CC=C2)/C

InChI

InChI=1S/C17H15NO3S/c1-13-8-10-16(11-9-13)22(19,20)21-14(2)17(12-18)15-6-4-3-5-7-15/h3-11H,1-2H3/b17-14+