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

CAS Registry Number®

735269-86-0
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CAS Name

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

Molecular Formula

C16H20O3

Molecular Mass

260.33

Cite this Page

rel-(1R,3S)-3-(3,4-Dimethylbenzoyl)cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735269-86-0 (retrieved 2024-09-04) (CAS RN: 735269-86-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H20O3/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(9-12)16(18)19/h6-8,12,14H,3-5,9H2,1-2H3,(H,18,19)/t12-,14+/s2

InChIKey

InChIKey=KNISYZCYLQJZLB-XGJSPVFONA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-(3,4-dimethylbenzoyl)-, (1R,3S)-rel-
  • rel-(1R,3S)-3-(3,4-Dimethylbenzoyl)cyclohexanecarboxylic acid