| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C15H12F5NO4S/c16-14(17)5-9-10(25-8-3-7(4-8)6-21)1-2-11(12(9)13(14)22)26(23,24)15(18,19)20/h1-2,7-8,13,22H,3-5H2/t7-,8+,13-/m0/s1 |
| InChIKey | InChI | 1.03 | CWCXJGVIPMKNIF-DAROEXNTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1c2c(CC1(F)F)c(O[C@H]3C[C@H](C3)C#N)ccc2[S](=O)(=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | O[CH]1c2c(CC1(F)F)c(O[CH]3C[CH](C3)C#N)ccc2[S](=O)(=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1OC3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1OC3CC(C3)C#N)CC(C2O)(F)F)S(=O)(=O)C(F)(F)F |
