| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1c(cc(C(=O)O)c(c1NS(c2c(OC)ccc(c2)Br)(=O)=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H11BrClNO6S/c1-23-11-3-2-7(15)4-12(11)24(21,22)17-10-6-8(16)5-9(13(10)18)14(19)20/h2-6,17-18H,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | HLGWNAJQDWZVDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(Cl)cc(C(O)=O)c2O |
| SMILES | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(Cl)cc(C(O)=O)c2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br |
