| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)c1sccc1S(=O)(=O)Nc2cccc([N+]([O-])=O)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1sccc1[S](=O)(=O)Nc2cccc(c2)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1sccc1[S](=O)(=O)Nc2cccc(c2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2O6S2/c14-11(15)10-9(4-5-20-10)21(18,19)12-7-2-1-3-8(6-7)13(16)17/h1-6,12H,(H,14,15) |
| InChIKey | InChI | 1.03 | CITCNTPVKZFUAJ-UHFFFAOYSA-N |
