| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H15NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5H2/p+1/t7-,8-,9+,10-,11-/m1/s1 |
| InChIKey | InChI | 1.06 | CRXJVFIHZPTDKA-KAMPLNKDSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[n+]2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[n+]2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c[n+](c1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c[n+](c1)C2C(C(C(C(O2)CO)O)O)O)C(=O)O |
