[(Z)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-but-1-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-but-1-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1Z)-1-benzylidene-3,3,3-trifluoro-2-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-2-yl] ester IUPAC Name: [(Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-2-phenyl-1-(2,2,2-trifluoroacetyl)vinyl] ester Formula: C17H13F3O4S MolecularWeight: 370.34293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CC2=CC=CC=C2)C(=O)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3O4S/c1-12-7-9-14(10-8-12)25(22,23)24-15(16(21)17(18,19)20)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-