methyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanylidene-propanoate

Systemtic Name: methyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanylidene-propanoate Openeye Name: methyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-propanoate CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropanoate Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-keto-propionic acid methyl ester Formula: C12H8F6O3 MolecularWeight: 314.180539

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H8F6O3/c1-21-10(20)9(19)4-6-2-7(11(13,14)15)5-8(3-6)12(16,17)18/h2-3,5H,4H2,1H3