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

Systemtic Name: [(Z)-1,1,1-tris(fluoranyl)-4-oxidanylidene-4-phenyl-but-2-en-2-yl] 4-methylsulfanylbenzoate Openeye Name: [(Z)-3-oxo-3-phenyl-1-(trifluoromethyl)prop-1-enyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-yl] ester IUPAC Name: [(Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-yl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(Z)-3-keto-3-phenyl-1-(trifluoromethyl)prop-1-enyl] ester Formula: C18H13F3O3S MolecularWeight: 366.35423

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OC(=CC(=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)O/C(=C\C(=O)C2=CC=CC=C2)/C(F)(F)F

InChI

InChI=1S/C18H13F3O3S/c1-25-14-9-7-13(8-10-14)17(23)24-16(18(19,20)21)11-15(22)12-5-3-2-4-6-12/h2-11H,1H3/b16-11-