| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c2(C1CC1)cc(c(c(C(O)=O)c2F)O)NS(=O)(=O)c3cc(ccc3O)Br |
| InChI | InChI | 1.03 | InChI=1S/C16H13BrFNO6S/c17-8-3-4-11(20)12(5-8)26(24,25)19-10-6-9(7-1-2-7)14(18)13(15(10)21)16(22)23/h3-7,19-21H,1-2H2,(H,22,23) |
| InChIKey | InChI | 1.03 | LZQVQCAIOFNYFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c(O)c(N[S](=O)(=O)c2cc(Br)ccc2O)cc(C3CC3)c1F |
| SMILES | CACTVS | 3.385 | OC(=O)c1c(O)c(N[S](=O)(=O)c2cc(Br)ccc2O)cc(C3CC3)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O |
