| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(O)C(O)(O)C(=O)CC(C)C)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H17O8P/c1-5(2)3-6(9)8(11,12)7(10)4-16-17(13,14)15/h5,7,10-12H,3-4H2,1-2H3,(H2,13,14,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | JMUSONIELWHGQU-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC(=O)C(O)(O)[C@@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CC(=O)C(O)(O)[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(=O)C(C(COP(=O)(O)O)O)(O)O |
