A1ETW
Summary
| Name: | [(~{Z})-icos-11-enyl] ethanoate |
| Formula: | C22 H42 O2 |
| Formal charge: | 0 |
| Formula weight: | 338.568 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(~{Z})-icos-11-enyl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h10-11H,3-9,12-21H2,1-2H3/b11-10- |
| InChIKey | InChI | 1.06 | PYVDPRZZYPCYBD-KHPPLWFESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC\C=C/CCCCCCCCCCOC(C)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCCCCCCOC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC/C=C\CCCCCCCCCCOC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC=CCCCCCCCCCCOC(=O)C |
