(9Z,11E,13S,15Z)-13-Hydroperoxy-9,11,15-Octadecatrienoic Acid

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Properties Simple | Detailed

Formula C18H30O4
IUPAC Name (9z,11e,13s,15z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
Molecular Mass 310.428 g·mol−1
Heat of Formation -563.6 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 432.8 Å 3
Surface Area 369.08 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (9z,11e,13s,15z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
  • 13(s)-hpotre
  • 13(s)-hydroperoxy-9(z),11(e),15(z)-octadecatrienoic acid
  • 13(s)-hydroperoxylinolenic acid
  • 13-(s)-hydroperoxylinolenic acid
  • 13s-hydroperoxy-9z,11e,15z-octadecatrienoic acid
  • 9,11,15-octadecatrienoic acid, 13-hydroperoxy-, (9z,11e,13s,15z)-
  • 9,11,15-octadecatrienoic acid, 13-hydroperoxy-, [s-(e,z,z)]-
  • cmc_7377
  • lmfa02000052
CAS Number(s)
  • 67597-26-6
InChIKey UYQGVDXDXBAABN-FQSPHKRJSA-N
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