pentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: pentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: pentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenyl-propanoate CAS Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoic acid pentyl ester IUPAC Name: pentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoate Traditional Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-keto-2-phenyl-propionic acid amyl ester Formula: C22H20F6O3 MolecularWeight: 446.382819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C1=CC=CC=C1)C(=O)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCCOC(=O)C(C1=CC=CC=C1)C(=O)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H20F6O3/c1-2-3-7-13-31-20(30)17(14-9-5-4-6-10-14)19(29)18-15(21(23,24)25)11-8-12-16(18)22(26,27)28/h4-6,8-12,17H,2-3,7,13H2,1H3