[(Z)-3-oxidanylidene-2-phenyl-but-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-3-oxidanylidene-2-phenyl-but-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-3-oxo-2-phenyl-but-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-3-oxo-2-phenylbut-1-enyl] ester IUPAC Name: [(Z)-3-oxo-2-phenylbut-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-3-keto-2-phenyl-but-1-enyl] ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S/c1-13-8-10-16(11-9-13)22(19,20)21-12-17(14(2)18)15-6-4-3-5-7-15/h3-12H,1-2H3/b17-12+