| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=[N+]([O-])c1cc(Br)cc(c1NS(O)(O)c1ccc(Br)cc1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C12H9Br2N3O6S/c13-7-1-3-9(4-2-7)24(22,23)15-12-10(16(18)19)5-8(14)6-11(12)17(20)21/h1-6,15,22-23H |
| InChIKey | InChI | 1.06 | VADPHRCUIKWCQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](O)(Nc1c(cc(Br)cc1[N+]([O-])=O)[N+]([O-])=O)c2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | O[S](O)(Nc1c(cc(Br)cc1[N+]([O-])=O)[N+]([O-])=O)c2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1S(Nc2c(cc(cc2[N+](=O)[O-])Br)[N+](=O)[O-])(O)O)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1S(Nc2c(cc(cc2[N+](=O)[O-])Br)[N+](=O)[O-])(O)O)Br |
