3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]pentanoic acid

Systemtic Name: 3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]pentanoic acid Openeye Name: 3-oxo-2-[4-(trifluoromethyl)phenyl]pentanoic acid CAS Name: 3-oxo-2-[4-(trifluoromethyl)phenyl]pentanoic acid IUPAC Name: 3-oxo-2-[4-(trifluoromethyl)phenyl]pentanoic acid Traditional Name: 3-keto-2-[4-(trifluoromethyl)phenyl]valeric acid Formula: C12H11F3O3 MolecularWeight: 260.20915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3O3/c1-2-9(16)10(11(17)18)7-3-5-8(6-4-7)12(13,14)15/h3-6,10H,2H2,1H3,(H,17,18)