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 acidMolecular Formula
C16H20O3Molecular Mass
260.33Cite 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 ) (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