(phenylmethyl) 5-bromanyl-4-oxidanylidene-3-(trifluoromethyl)pentanoate

Systemtic Name: (phenylmethyl) 5-bromanyl-4-oxidanylidene-3-(trifluoromethyl)pentanoate Openeye Name: benzyl 5-bromo-4-oxo-3-(trifluoromethyl)pentanoate CAS Name: 5-bromo-4-oxo-3-(trifluoromethyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-bromo-4-oxo-3-(trifluoromethyl)pentanoate Traditional Name: 5-bromo-4-keto-3-(trifluoromethyl)valeric acid benzyl ester Formula: C13H12BrF3O3 MolecularWeight: 353.13179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)CBr)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)CBr)C(F)(F)F

InChI

InChI=1S/C13H12BrF3O3/c14-7-11(18)10(13(15,16)17)6-12(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2