2,4,4-trimethylpentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: 2,4,4-trimethylpentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: 2,4,4-trimethylpentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenyl-propanoate CAS Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoic acid 2,4,4-trimethylpentyl ester IUPAC Name: 2,4,4-trimethylpentyl 3-[2,6-bis(trifluoromethyl)phenyl]-3-oxo-2-phenylpropanoate Traditional Name: 3-[2,6-bis(trifluoromethyl)phenyl]-3-keto-2-phenyl-propionic acid 2,4,4-trimethylpentyl ester Formula: C25H26F6O3 MolecularWeight: 488.462559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26F6O3/c1-15(13-23(2,3)4)14-34-22(33)19(16-9-6-5-7-10-16)21(32)20-17(24(26,27)28)11-8-12-18(20)25(29,30)31/h5-12,15,19H,13-14H2,1-4H3