| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(F)(F)Oc2c(OC1COCC1)cc(cc2)C(=O)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | IXURVUHDDXFYDR-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CC(=O)c1ccc(OC(F)F)c(O[C@H]2CCOC2)c1 |
| SMILES | CACTVS | 3.385 | CC(C)CC(=O)c1ccc(OC(F)F)c(O[CH]2CCOC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)CC(=O)c1ccc(c(c1)O[C@H]2CCOC2)OC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(=O)c1ccc(c(c1)OC2CCOC2)OC(F)F |
