methyl (Z)-3-(3,5-dimethyl-4-oxidanyl-phenyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate

Systemtic Name: methyl (Z)-3-(3,5-dimethyl-4-oxidanyl-phenyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate Openeye Name: methyl (Z)-3-fluoro-3-(4-hydroxy-3,5-dimethyl-phenyl)sulfanyl-2-(trifluoromethyl)prop-2-enoate CAS Name: (Z)-3-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)thio]-2-(trifluoromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-fluoro-3-(4-hydroxy-3,5-dimethylphenyl)sulfanyl-2-(trifluoromethyl)prop-2-enoate Traditional Name: (Z)-3-fluoro-3-[(4-hydroxy-3,5-dimethyl-phenyl)thio]-2-(trifluoromethyl)acrylic acid methyl ester Formula: C13H12F4O3S MolecularWeight: 324.291193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)SC(=C(C(=O)OC)C(F)(F)F)F

Isomeric SMILES

CC1=CC(=CC(=C1O)C)S/C(=C(/C(=O)OC)\C(F)(F)F)/F

InChI

InChI=1S/C13H12F4O3S/c1-6-4-8(5-7(2)10(6)18)21-11(14)9(12(19)20-3)13(15,16)17/h4-5,18H,1-3H3/b11-9-