[(E)-1-(3-chlorophenyl)-2-cyano-ethenyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-(3-chlorophenyl)-2-cyano-ethenyl] 4-methylbenzenesulfonate Openeye Name: [(E)-1-(3-chlorophenyl)-2-cyano-vinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-(3-chlorophenyl)-2-cyanoethenyl] ester IUPAC Name: [(E)-1-(3-chlorophenyl)-2-cyanoethenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-1-(3-chlorophenyl)-2-cyano-vinyl] ester Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO3S/c1-12-5-7-15(8-6-12)22(19,20)21-16(9-10-18)13-3-2-4-14(17)11-13/h2-9,11H,1H3/b16-9+