| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2cccc(Oc1cc(cc(O)c1O)C(=O)O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C13H9NO7/c15-10-4-7(13(17)18)5-11(12(10)16)21-9-3-1-2-8(6-9)14(19)20/h1-6,15-16H,(H,17,18) |
| InChIKey | InChI | 1.03 | GEHZMCJZQSUKMY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(O)c(O)c(Oc2cccc(c2)[N+]([O-])=O)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cc(O)c(O)c(Oc2cccc(c2)[N+]([O-])=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-] |
