SOU
Summary
| Name: | [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate |
| Formula: | C12 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 196.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{E})-3,7-dimethylocta-2,6-dienyl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ |
| InChIKey | InChI | 1.06 | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OC\C=C(/C)CCC=C(C)C |
| SMILES | CACTVS | 3.385 | CC(=O)OCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/COC(=O)C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCOC(=O)C)C)C |
