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

Systemtic Name: [(E)-2-cyano-1-phenyl-ethenyl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-cyano-1-phenyl-vinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-2-cyano-1-phenylethenyl] ester IUPAC Name: [(E)-2-cyano-1-phenylethenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-cyano-1-phenyl-vinyl] ester Formula: C16H13NO3S MolecularWeight: 299.34432

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO3S/c1-13-7-9-15(10-8-13)21(18,19)20-16(11-12-17)14-5-3-2-4-6-14/h2-11H,1H3/b16-11+