4-[5-fluoranyl-2-(trifluoromethyl)phenyl]-4-methyl-2-oxidanylidene-pentanoic acid

Systemtic Name: 4-[5-fluoranyl-2-(trifluoromethyl)phenyl]-4-methyl-2-oxidanylidene-pentanoic acid Openeye Name: 4-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methyl-2-oxo-pentanoic acid CAS Name: 4-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methyl-2-oxopentanoic acid IUPAC Name: 4-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methyl-2-oxopentanoic acid Traditional Name: 4-[5-fluoro-2-(trifluoromethyl)phenyl]-2-keto-4-methyl-valeric acid Formula: C13H12F4O3 MolecularWeight: 292.226193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C(=O)O)C1=C(C=CC(=C1)F)C(F)(F)F

Isomeric SMILES

CC(C)(CC(=O)C(=O)O)C1=C(C=CC(=C1)F)C(F)(F)F

InChI

InChI=1S/C13H12F4O3/c1-12(2,6-10(18)11(19)20)9-5-7(14)3-4-8(9)13(15,16)17/h3-5H,6H2,1-2H3,(H,19,20)