| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)C1C(C(C(C(O1)Oc2ccc([N+](=O)[O-])cc2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | QSUILVWOWLUOEU-GOVZDWNOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)Oc2ccc(cc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc(cc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O |
