(phenylmethyl) 4-methyl-5-oxidanylidene-2-(trifluoromethyl)heptanoate

Systemtic Name: (phenylmethyl) 4-methyl-5-oxidanylidene-2-(trifluoromethyl)heptanoate Openeye Name: benzyl 4-methyl-5-oxo-2-(trifluoromethyl)heptanoate CAS Name: 4-methyl-5-oxo-2-(trifluoromethyl)heptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-5-oxo-2-(trifluoromethyl)heptanoate Traditional Name: 5-keto-4-methyl-2-(trifluoromethyl)enanthic acid benzyl ester Formula: C16H19F3O3 MolecularWeight: 316.31547

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)CC(C(=O)OCC1=CC=CC=C1)C(F)(F)F

Isomeric SMILES

CCC(=O)C(C)CC(C(=O)OCC1=CC=CC=C1)C(F)(F)F

InChI

InChI=1S/C16H19F3O3/c1-3-14(20)11(2)9-13(16(17,18)19)15(21)22-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3