3-Chloro-4,6-Dihydroxy-2-Methyl-5-[(2E,4E)-3-Methyl-5-(1,2,6-Trimethyl-3-Oxocyclohexyl)-2,4-Pentadien-1-Yl]Benzaldehyde

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Properties Simple | Detailed

Formula C23H29ClO4
IUPAC Name 5-chloro-2,4-dihydroxy-6-methyl-3-[(2e,4e)-3-methyl-5-[(1s,2s,6r)-1,2,6-trimethyl-3-oxo-cyclohexyl]penta-2,4-dienyl]benzaldehyde
Molecular Mass 404.927 g·mol−1
Heat of Formation -701.4 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 494.8 Å 3
Surface Area 412.74 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey SETVRSKZJJWOPA-FUIYZSDZSA-N
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Elements H C O Cl