| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c2ccc(OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc2ccc(cc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | O[P](=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc2ccc(cc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20) |
| InChIKey | InChI | 1.03 | MHSVUSZEHNVFKW-UHFFFAOYSA-N |
