| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1O[V+3]2([OH2])(=O)(OC(=O)c3cccc[n+]32)[n+]2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/2C6H5NO2.H2O.O.V/c2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-4H,(H,8,9);1H2;;/q;;;;+7/p-2 |
| InChIKey | InChI | 1.06 | GHKSEXRIWPEAFK-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O=C1O[V+3]2(=O)(OC(=O)c3cccc[n+]23)[n+]4ccccc14 |
| SMILES | CACTVS | 3.385 | O.O=C1O[V+3]2(=O)(OC(=O)c3cccc[n+]23)[n+]4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)[OH2] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)[OH2] |
