[(Z)-2-(4-bromophenyl)-2-cyano-ethenyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-2-(4-bromophenyl)-2-cyano-ethenyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-2-(4-bromophenyl)-2-cyano-vinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-2-(4-bromophenyl)-2-cyanoethenyl] ester IUPAC Name: [(Z)-2-(4-bromophenyl)-2-cyanoethenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-2-(4-bromophenyl)-2-cyano-vinyl] ester Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO3S/c1-12-2-8-16(9-3-12)22(19,20)21-11-14(10-18)13-4-6-15(17)7-5-13/h2-9,11H,1H3/b14-11+