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

CAS Registry Number®

735274-99-4
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CAS Name

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

Molecular Formula

C16H17F3O3

Molecular Mass

314.30

Cite this Page

rel-(1R,2S)-2-[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=735274-99-4 (retrieved 2024-05-16) (CAS RN: 735274-99-4).  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)12-6-3-5-11(8-12)14(20)9-10-4-1-2-7-13(10)15(21)22/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,21,22)/t10-,13+/s2

InChIKey

InChIKey=ZPIWCRNJAWHXTF-KQKSKQCLNA-N

SMILES

C(C(=O)C1=CC(C(F)(F)F)=CC=C1)[C@H]2[C@H](C(O)=O)CCCC2

Canonical SMILES

O=C(O)C1CCCCC1CC(=O)C2=CC=CC(=C2)C(F)(F)F

Other Names for this Substance

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

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