rel-(1R,3S)-3-(4-Chlorobenzoyl)cyclohexanecarboxylic acid

CAS Registry Number®

735269-79-1
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CAS Name

rel-(1R,3S)-3-(4-Chlorobenzoyl)cyclohexanecarboxylic acid

Molecular Formula

C14H15ClO3

Molecular Mass

266.72

Cite this Page

rel-(1R,3S)-3-(4-Chlorobenzoyl)cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735269-79-1 (retrieved 2024-09-05) (CAS RN: 735269-79-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C14H15ClO3/c15-12-6-4-9(5-7-12)13(16)10-2-1-3-11(8-10)14(17)18/h4-7,10-11H,1-3,8H2,(H,17,18)/t10-,11+/s2

InChIKey

InChIKey=RUYKAHCJBCRSKL-WIBLRKLZNA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-(4-chlorobenzoyl)-, (1R,3S)-rel-
  • rel-(1R,3S)-3-(4-Chlorobenzoyl)cyclohexanecarboxylic acid