2-[5-fluoranyl-2-(2-methoxy-2-oxidanylidene-ethyl)phenyl]sulfanyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[5-fluoranyl-2-(2-methoxy-2-oxidanylidene-ethyl)phenyl]sulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 2-[5-fluoro-2-(2-methoxy-2-oxo-ethyl)phenyl]sulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 2-[[5-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]thio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[5-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]sulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[[5-fluoro-2-(2-keto-2-methoxy-ethyl)phenyl]thio]-5-(trifluoromethyl)benzoic acid Formula: C17H12F4O4S MolecularWeight: 388.333393

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=C(C=C1)F)SC2=C(C=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

COC(=O)CC1=C(C=C(C=C1)F)SC2=C(C=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H12F4O4S/c1-25-15(22)6-9-2-4-11(18)8-14(9)26-13-5-3-10(17(19,20)21)7-12(13)16(23)24/h2-5,7-8H,6H2,1H3,(H,23,24)