phenethyl 4-oxidanyl-5-oxidanylidene-2-(trifluoromethyl)hexanoate

Systemtic Name: phenethyl 4-oxidanyl-5-oxidanylidene-2-(trifluoromethyl)hexanoate Openeye Name: phenethyl 4-hydroxy-5-oxo-2-(trifluoromethyl)hexanoate CAS Name: 4-hydroxy-5-oxo-2-(trifluoromethyl)hexanoic acid phenethyl ester IUPAC Name: phenethyl 4-hydroxy-5-oxo-2-(trifluoromethyl)hexanoate Traditional Name: 4-hydroxy-5-keto-2-(trifluoromethyl)hexanoic acid phenethyl ester Formula: C15H17F3O4 MolecularWeight: 318.28829

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(C(=O)OCCC1=CC=CC=C1)C(F)(F)F)O

Isomeric SMILES

CC(=O)C(CC(C(=O)OCCC1=CC=CC=C1)C(F)(F)F)O

InChI

InChI=1S/C15H17F3O4/c1-10(19)13(20)9-12(15(16,17)18)14(21)22-8-7-11-5-3-2-4-6-11/h2-6,12-13,20H,7-9H2,1H3