| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C2CC(C1O2)C)C(O)=O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H12O5/c1-3-2-4-5(8(10)11)6(9(12)13)7(3)14-4/h3-7H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4-,5-,6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | YSNMFFYDVUEGJH-AZEWMMITSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@@H]2O[C@H]1[C@H]([C@H]2C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH]2O[CH]1[CH]([CH]2C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1CC2C(C(C1O2)C(=O)O)C(=O)O |
