| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)O)C(=O)OC)C(F)F |
| InChI | InChI | 1.06 | InChI=1S/C14H14F5NO4/c1-5(2)4-6-7(13(23)24-3)9(11(15)16)20-10(14(17,18)19)8(6)12(21)22/h5,11H,4H2,1-3H3,(H,21,22) |
| InChIKey | InChI | 1.06 | HWCYWFXTWKPSIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(CC(C)C)c(C(O)=O)c(nc1C(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | COC(=O)c1c(CC(C)C)c(C(O)=O)c(nc1C(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Cc1c(c(nc(c1C(=O)O)C(F)(F)F)C(F)F)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Cc1c(c(nc(c1C(=O)O)C(F)(F)F)C(F)F)C(=O)OC |
