Ethyl (2E,4E,6E,8E)-9-(4-Hydroxy-2,3,6-Trimethylphenyl)-3,7-Dimethyl-2,4,6,8-Nonatetraenoate

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Formula C22H28O3
IUPAC Name ethyl (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
Molecular Mass 340.456 g·mol−1
Heat of Formation -443.0 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 442.45 Å 3
Surface Area 412.73 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid ethyl ester
  • (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
  • 2,4,6,8-nonatetraenoic acid, 9-(4-hydroxy-2,3,6-trimethylphenyl-3,7-dimethyl-, ethyl ester, (all-e)-
  • 4-hydroxyetretinate
  • 9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid, ethyl ester
  • ethyl (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
  • ethyl (2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
  • ro 11-4768
CAS Number(s)
  • 66757-07-1
InChIKey NIOLMQBHFHVZML-PAAZSCCJSA-N
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