A1EKK
Summary
| Name: | methyl (9R,10E,12E)-9-methoxyoctadeca-10,12-dienoate |
| Formula: | C20 H36 O3 |
| Formal charge: | 0 |
| Formula weight: | 324.498 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (9~{R},10~{E},12~{E})-9-methoxyoctadeca-10,12-dienoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H36O3/c1-4-5-6-7-8-10-13-16-19(22-2)17-14-11-9-12-15-18-20(21)23-3/h8,10,13,16,19H,4-7,9,11-12,14-15,17-18H2,1-3H3/b10-8+,16-13+/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | TTYSQURQVGCMHK-IOVFVLODSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC\C=C\C=C\[C@@H](CCCCCCCC(=O)OC)OC |
| SMILES | CACTVS | 3.385 | CCCCCC=CC=C[CH](CCCCCCCC(=O)OC)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC/C=C/C=C/[C@@H](CCCCCCCC(=O)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC=CC=CC(CCCCCCCC(=O)OC)OC |
