4-{[(5-Carboxy-2-ethylpentyl)oxy]carbonyl}(²H₄)benzoic acid

More details:

• Systematic name

  4-(5-carboxy-2-ethyl-pentoxy)carbonyl-2,3,5,6-tetradeuterio-benzoic acid

• SMILES

  [2H]C1=C(C(O)=O)C([2H])=C([2H])C(C(=O)OCC(CC)CCCC(O)=O)=C1[2H]

• Std. InChi

  InChI=1S/C16H20O6/c1-2-11(4-3-5-14(17)18)10-22-16(21)13-8-6-12(7-9-13)15(19)20/h6-9,11H,2-5,10H2,1H3,(H,17,18)(H,19,20)/i6D,7D,8D,9D

• Std. InChIKey

  BIQPFHSSQDGFTK-YKVCKAMESA-N

• Cite this record

  CSID:128942834, http://www.chemspider.com/Chemical-Structure.128942834.html (accessed 00:38, Jul 4, 2024)