| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | JWHYSEDOYMYMNM-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc2ccc(OCC(O)=O)c(C)c2 |
| SMILES | CACTVS | 3.385 | CCO[CH](COc1ccc(cc1)C(F)(F)F)CSc2ccc(OCC(O)=O)c(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc2ccc(c(c2)C)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(COc1ccc(cc1)C(F)(F)F)CSc2ccc(c(c2)C)OCC(=O)O |
