| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)([N+]([O-])=O)c1cc(c(O)c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C13H5F5N4O8S/c14-6-7(15)9(17)11(10(18)8(6)16)20-13(24)19-4-1-3(31(29,30)22(27)28)2-5(12(4)23)21(25)26/h1-2,23H,(H2,19,20,24) |
| InChIKey | InChI | 1.06 | MOCQKRDJRULJNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(cc1[N+]([O-])=O)[S](=O)(=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Oc1c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(cc1[N+]([O-])=O)[S](=O)(=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)[N+](=O)[O-])S(=O)(=O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)[N+](=O)[O-])S(=O)(=O)[N+](=O)[O-] |
