(2E,4E,6R)-N-(5-Chloro-4-{(1E,3E,5E)-7-[(2-Hydroxy-5-Oxo-1-Cyclopenten-1-Yl)Amino]-7-Oxo-1,3,5-Heptatrien-1-Yl}-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)-2,4,6-Trimethyl-2,4-Decadienamide

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Properties Simple | Detailed

Formula C31H35ClN2O6
IUPAC Name (2e,4e,6r)-n-[5-chloro-4-[(1e,3e,5e)-7-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-7-oxo-hepta-1,3,5-trienyl]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-2,4,6-trimethyl-deca-2,4-dienamide
Molecular Mass 567.072 g·mol−1
Heat of Formation -696.7 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 687.87 Å 3
Surface Area 614.3 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e)-7-[2-chloro-3,6-diketo-4-[[(2e,4e,6r)-2,4,6-trimethyldeca-2,4-dienoyl]amino]-1-cyclohexa-1,4-dienyl]-n-(2-hydroxy-5-keto-1-cyclopentenyl)hepta-2,4,6-trienamide
  • (2e,4e,6r)-n-[5-chloro-4-[(1e,3e,5e)-7-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-7-oxo-hepta-1,3,5-trienyl]-3,6-dioxo-1-cyclohexa-1,4-dienyl]-2,4,6-trimethyl-deca-2,4-dienamide
InChIKey CRKWSNXPXJXAAZ-RWZZEPMSSA-N
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