[(Z,2R)-2-chloranyl-4-cyano-but-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z,2R)-2-chloranyl-4-cyano-but-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z,2R)-2-chloro-4-cyano-but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z,2R)-2-chloro-4-cyanobut-3-enyl] ester IUPAC Name: [(Z,2R)-2-chloro-4-cyanobut-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z,2R)-2-chloro-4-cyano-but-3-enyl] ester Formula: C12H12ClNO3S MolecularWeight: 285.74658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](/C=C\C#N)Cl

InChI

InChI=1S/C12H12ClNO3S/c1-10-4-6-12(7-5-10)18(15,16)17-9-11(13)3-2-8-14/h2-7,11H,9H2,1H3/b3-2-/t11-/m1/s1