(7S)-5-Chloro-3-[(1E,3E,5S)-3,5-Dimethyl-1,3-Heptadien-1-Yl]-7-Methyl-6,8-Dioxo-7,8-Dihydro-6H-Isochromen-7-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C21H23ClO5 |
| IUPAC Name | [(7s)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxo-isochromen-7-yl] acetate |
| Molecular Mass | 390.857 g·mol−1 |
| Heat of Formation | -722.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.15 ± 1.08 D |
| Volume | 459.33 Å 3 |
| Surface Area | 403.57 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | 1.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SWJLTKXURNHVHE-SGAXEVNMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Cl |