3-ethoxycarbonyl-2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]heptanoic acid

Systemtic Name: 3-ethoxycarbonyl-2-oxidanylidene-7-[3-(trifluoromethyl)phenyl]heptanoic acid Openeye Name: 3-ethoxycarbonyl-2-oxo-7-[3-(trifluoromethyl)phenyl]heptanoic acid CAS Name: 3-ethoxycarbonyl-2-oxo-7-[3-(trifluoromethyl)phenyl]heptanoic acid IUPAC Name: 3-ethoxycarbonyl-2-oxo-7-[3-(trifluoromethyl)phenyl]heptanoic acid Traditional Name: 3-carbethoxy-2-keto-7-[3-(trifluoromethyl)phenyl]enanthic acid Formula: C17H19F3O5 MolecularWeight: 360.32497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC1=CC(=CC=C1)C(F)(F)F)C(=O)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCCC1=CC(=CC=C1)C(F)(F)F)C(=O)C(=O)O

InChI

InChI=1S/C17H19F3O5/c1-2-25-16(24)13(14(21)15(22)23)9-4-3-6-11-7-5-8-12(10-11)17(18,19)20/h5,7-8,10,13H,2-4,6,9H2,1H3,(H,22,23)