| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC(O)CO)CCCCCCC\C=C/CCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)CO |
| SMILES | CACTVS | 3.341 | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | RZRNAYUHWVFMIP-GDCKJWNLSA-N |
