| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+ |
| InChIKey | InChI | 1.06 | XCGJIFAKUZNNOR-QCKZDCLWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@@H]1CC[C@](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)C2(CCC(CC2)CCC(=O)O)c3cc(ccc3F)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)C2(CCC(CC2)CCC(=O)O)c3cc(ccc3F)F)Cl |
