rel-(1R,3S)-3-Benzoylcyclohexanecarboxylic acid

CAS Registry Number®

733742-86-4
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CAS Name

rel-(1R,3S)-3-Benzoylcyclohexanecarboxylic acid

Molecular Formula

C14H16O3

Molecular Mass

232.27

Cite this Page

rel-(1R,3S)-3-Benzoylcyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=733742-86-4 (retrieved 2024-09-07) (CAS RN: 733742-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C14H16O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)/t11-,12+/s2

InChIKey

InChIKey=LCOMXIQTOGETME-WEUYFXHZNA-N

SMILES

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

Canonical SMILES

O=C(O)C1CCCC(C(=O)C=2C=CC=CC2)C1

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-benzoyl-, (1R,3S)-rel-
  • rel-(1R,3S)-3-Benzoylcyclohexanecarboxylic acid
  • cis-3-Benzoylcyclohexane-1-carboxylic acid