(phenylmethyl) 4,4-dimethyl-5-oxidanylidene-2-(trifluoromethyl)pentanoate

Systemtic Name: (phenylmethyl) 4,4-dimethyl-5-oxidanylidene-2-(trifluoromethyl)pentanoate Openeye Name: benzyl 4,4-dimethyl-5-oxo-2-(trifluoromethyl)pentanoate CAS Name: 4,4-dimethyl-5-oxo-2-(trifluoromethyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4,4-dimethyl-5-oxo-2-(trifluoromethyl)pentanoate Traditional Name: 5-keto-4,4-dimethyl-2-(trifluoromethyl)valeric acid benzyl ester Formula: C15H17F3O3 MolecularWeight: 302.28889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3O3/c1-14(2,10-19)8-12(15(16,17)18)13(20)21-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3