3-[2-(trifluoromethyl)phenyl]octanoic acid

Systemtic Name: 3-[2-(trifluoromethyl)phenyl]octanoic acid Openeye Name: 3-[2-(trifluoromethyl)phenyl]octanoic acid CAS Name: 3-[2-(trifluoromethyl)phenyl]octanoic acid IUPAC Name: 3-[2-(trifluoromethyl)phenyl]octanoic acid Traditional Name: 3-[2-(trifluoromethyl)phenyl]caprylic acid Formula: C15H19F3O2 MolecularWeight: 288.30537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCCC(CC(=O)O)C1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C15H19F3O2/c1-2-3-4-7-11(10-14(19)20)12-8-5-6-9-13(12)15(16,17)18/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,19,20)