[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] pentanoate

Systemtic Name: [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] pentanoate Openeye Name: [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] pentanoate CAS Name: pentanoic acid [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] pentanoate Traditional Name: valeric acid [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] ester Formula: C15H16F6O2 MolecularWeight: 342.276759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCC(=O)O[C@@H](C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H16F6O2/c1-3-4-5-13(22)23-9(2)10-6-11(14(16,17)18)8-12(7-10)15(19,20)21/h6-9H,3-5H2,1-2H3/t9-/m0/s1