rel-(1R,3S)-3-(4-Methylbenzoyl)cyclohexanecarboxylic acid
CAS Registry Number®
735269-70-2
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CAS Name
rel-(1R,3S)-3-(4-Methylbenzoyl)cyclohexanecarboxylic acidMolecular Formula
C15H18O3Molecular Mass
246.30Cite this Page
rel-(1R,3S)-3-(4-Methylbenzoyl)cyclohexanecarboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=735269-70-2 (retrieved ) (CAS RN: 735269-70-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C15H18O3/c1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(9-12)15(17)18/h5-8,12-13H,2-4,9H2,1H3,(H,17,18)/t12-,13+/s2
InChIKey
InChIKey=XBWWIAPCTRNLKX-QWAQRTLVNA-N
SMILES
C(=O)([C@H]1C[C@@H](C(O)=O)CCC1)C2=CC=C(C)C=C2
Canonical SMILES
O=C(O)C1CCCC(C(=O)C2=CC=C(C=C2)C)C1
Other Names for this Substance
- Cyclohexanecarboxylic acid, 3-(4-methylbenzoyl)-, (1R,3S)-rel-
- rel-(1R,3S)-3-(4-Methylbenzoyl)cyclohexanecarboxylic acid