rel-(1R,3S)-3-(3-Methoxybenzoyl)cyclohexanecarboxylic acid

CAS Registry Number®

735269-72-4
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CAS Name

rel-(1R,3S)-3-(3-Methoxybenzoyl)cyclohexanecarboxylic acid

Molecular Formula

C15H18O4

Molecular Mass

262.30

Cite this Page

rel-(1R,3S)-3-(3-Methoxybenzoyl)cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735269-72-4 (retrieved 2024-08-19) (CAS RN: 735269-72-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C15H18O4/c1-19-13-7-3-5-11(9-13)14(16)10-4-2-6-12(8-10)15(17)18/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,17,18)/t10-,12+/s2

InChIKey

InChIKey=WLLTZNKQSVRPKW-XWJGPBAUNA-N

SMILES

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

Canonical SMILES

O=C(O)C1CCCC(C(=O)C=2C=CC=C(OC)C2)C1

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-(3-methoxybenzoyl)-, (1R,3S)-rel-
  • rel-(1R,3S)-3-(3-Methoxybenzoyl)cyclohexanecarboxylic acid