rel-(1R,3S)-3-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid

CAS Registry Number®

735275-41-9
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CAS Name

rel-(1R,3S)-3-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid

Molecular Formula

C16H17F3O3

Molecular Mass

314.30

Cite this Page

rel-(1R,3S)-3-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735275-41-9 (retrieved 2024-09-05) (CAS RN: 735275-41-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H17F3O3/c17-16(18,19)13-6-2-4-11(9-13)14(20)8-10-3-1-5-12(7-10)15(21)22/h2,4,6,9-10,12H,1,3,5,7-8H2,(H,21,22)/t10-,12+/s2

InChIKey

InChIKey=JWKYUZAQKFDNFR-XWJGPBAUNA-N

SMILES

C(C[C@H]1C[C@@H](C(O)=O)CCC1)(=O)C2=CC(C(F)(F)F)=CC=C2

Canonical SMILES

O=C(O)C1CCCC(CC(=O)C2=CC=CC(=C2)C(F)(F)F)C1

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-, (1R,3S)-rel-
  • rel-(1R,3S)-3-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic acid