rel-(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid

CAS Registry Number®

735269-87-1

CAS Name

rel-(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid

Molecular Formula

C16H20O3

Molecular Mass

260.33

Cite this Page

rel-(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735269-87-1 (retrieved 2024-11-26) (CAS RN: 735269-87-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=BKLNASRLRJKKIW-QWAQRTLVNA-N

SMILES

C(=O)(C1=CC(C)=CC(C)=C1)[C@H]2C[C@@H](C(O)=O)CCC2

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-(3,5-dimethylbenzoyl)-, (1R,3S)-rel-
  • rel-(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid

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