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

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Formula C22H27ClO2
IUPAC Name ethyl (2e,4e,6e,8e)-9-(3-chloro-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
Molecular Mass 358.902 g·mol−1
Heat of Formation -316.1 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 458.55 Å 3
Surface Area 420.2 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-9-(3-chloro-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid ethyl ester
  • (2e,4e,6e,8e)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
  • 2,4,6,8-nonatetraenoic acid, 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester, (all-e)-
  • ethyl (2e,4e,6e,8e)-9-(3-chloro-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
  • ethyl (2e,4e,6e,8e)-9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
  • ro 11-503
  • ro 11503
CAS Number(s)
  • 74479-75-7
InChIKey NXIHLBSXOXSDDK-PAAZSCCJSA-N
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