| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C4O[V+3]2(=O)(O)(OC(=O)c1[n+]2cccc1)[n+]3ccccc34 |
| InChI | InChI | 1.03 | 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;;;;+8/p-3 |
| InChIKey | InChI | 1.03 | MPIJUROFANKBHX-UHFFFAOYSA-K |
| SMILES_CANONICAL | CACTVS | 3.385 | O[V+3]12(=O)(OC(=O)c3cccc[n+]13)OC(=O)c4cccc[n+]24 |
| SMILES | CACTVS | 3.385 | O[V+3]12(=O)(OC(=O)c3cccc[n+]13)OC(=O)c4cccc[n+]24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O |
