| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccccc1)c2cc(O)c([N+]([O-])=O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H9NO5S/c14-12-8-10(6-7-11(12)13(15)16)19(17,18)9-4-2-1-3-5-9/h1-8,14H |
| InChIKey | InChI | 1.03 | MPJBDZGASMKZSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(ccc1[N+]([O-])=O)[S](=O)(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Oc1cc(ccc1[N+]([O-])=O)[S](=O)(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-] |
