V8Z
Summary
| Name: | (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene |
| Synonyms: | (1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene 134687947; alpha-Caryophyllene; 3,7,10-Humulatriene |
| Formula: | C15 H24 |
| Formal charge: | 0 |
| Formula weight: | 204.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{E},8~{E})-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+ |
| InChIKey | InChI | 1.03 | FAMPSKZZVDUYOS-HRGUGZIWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\1=C/CC(C)(C)\C=C\C\C(=C\CC\1)C |
| SMILES | CACTVS | 3.385 | CC1=CCC(C)(C)C=CCC(=CCC1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CCC(C=CCC(=CCC1)C)(C)C |
