| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c2cc(Oc1cccc(c1)[N+]([O-])=O)cc(O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C13H9NO6/c15-10-4-8(13(16)17)5-12(7-10)20-11-3-1-2-9(6-11)14(18)19/h1-7,15H,(H,16,17) |
| InChIKey | InChI | 1.03 | KGFXJYALKCBPSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(O)cc(Oc2cccc(c2)[N+]([O-])=O)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cc(O)cc(Oc2cccc(c2)[N+]([O-])=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-] |
