rel-(1R,3S)-3-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

CAS Registry Number®

735275-45-3
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CAS Name

rel-(1R,3S)-3-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Molecular Formula

C15H17NO5

Molecular Mass

291.30

Cite this Page

rel-(1R,3S)-3-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735275-45-3 (retrieved 2024-08-02) (CAS RN: 735275-45-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C15H17NO5/c17-14(11-4-6-13(7-5-11)16(20)21)9-10-2-1-3-12(8-10)15(18)19/h4-7,10,12H,1-3,8-9H2,(H,18,19)/t10-,12+/s2

InChIKey

InChIKey=OUMGDKNJBOQXND-XWJGPBAUNA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-[2-(4-nitrophenyl)-2-oxoethyl]-, (1R,3S)-rel-
  • rel-(1R,3S)-3-[2-(4-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid