| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(OC(=O)CCCCCCCCCCCC)CCCCCCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCCCCCCCC |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-26(25-27(29)30)32-28(31)24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m0/s1 |
| InChIKey | InChI | 1.03 | WLKQLKMXKFGMQI-SANMLTNESA-N |
