| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])OC(CO[N+]([O-])=O)CO[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 |
| InChIKey | InChI | 1.03 | SNIOPGDIGTZGOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | [O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] |
