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

Systemtic Name: octyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: octyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenyl-propanoate CAS Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoic acid octyl ester IUPAC Name: octyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoate Traditional Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-keto-2-phenyl-propionic acid octyl ester Formula: C25H26F6O3 MolecularWeight: 488.462559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26F6O3/c1-2-3-4-5-6-10-16-34-23(33)20(17-12-8-7-9-13-17)22(32)21-18(24(26,27)28)14-11-15-19(21)25(29,30)31/h7-9,11-15,20H,2-6,10,16H2,1H3