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

CAS Registry Number®

735275-40-8

CAS Name

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

Molecular Formula

C16H17F3O3

Molecular Mass

314.30

Cite this Page

rel-(1R,3S)-3-[2-Oxo-2-[2-(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=735275-40-8 (retrieved 2024-11-23) (CAS RN: 735275-40-8).  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)13-7-2-1-6-12(13)14(20)9-10-4-3-5-11(8-10)15(21)22/h1-2,6-7,10-11H,3-5,8-9H2,(H,21,22)/t10-,11+/s2

InChIKey

InChIKey=GQXBAYXYFBWKJZ-WIBLRKLZNA-N

SMILES

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

Canonical SMILES

O=C(O)C1CCCC(CC(=O)C=2C=CC=CC2C(F)(F)F)C1

Other Names for this Substance

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

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