MPG
Summary
| Name: | [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate |
| Formula: | C21 H40 O4 |
| Formal charge: | 0 |
| Formula weight: | 356.54 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | JPJYKWFFJCWMPK-GDCKJWNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC\C=C/CCCCCCCCOC(=O)[C@H](O)CO |
| SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCCCCOC(=O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCC=CCCCCCCCCOC(=O)C(CO)O |
