Y7R
Summary
| Name: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate |
| Synonyms: | (2E,6E)-farnesyl acetate |
| Formula: | C17 H28 O2 |
| Formal charge: | 0 |
| Formula weight: | 264.403 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate |
| OpenEye OEToolkits | 2.0.7 | [(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C |
| InChI | InChI | 1.06 | InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+ |
| InChIKey | InChI | 1.06 | ZGIGZINMAOQWLX-NCZFFCEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OC\C=C(C)\CC/C=C(C)/CCC=C(C)C |
| SMILES | CACTVS | 3.385 | CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/CC/C(=C/COC(=O)C)/C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C |
