(9Cis,13Cis)-4-Oxoretinal

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Properties Simple | Detailed

Formula C20H26O2
IUPAC Name (2z,4e,6z,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)nona-2,4,6,8-tetraenal
Molecular Mass 298.419 g·mol−1
Heat of Formation -208.2 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 417.18 Å 3
Surface Area 357.31 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4e,6z,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenal
  • (2z,4e,6z,8e)-9-(3-keto-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenal
  • 4-oxo-ral
  • 4-oxoretinal
  • 4-oxoretinaldehyde
  • retinal, 4-oxo-
CAS Number(s)
  • 33532-44-4
InChIKey PLILDISEFZJECC-ITCDGTHUSA-N
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