| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H17F3O5/c1-11-15-6-7-17(12(2)19(15)29-20(27)16(11)9-18(25)26)28-10-13-4-3-5-14(8-13)21(22,23)24/h3-8H,9-10H2,1-2H3,(H,25,26) |
| InChIKey | InChI | 1.03 | NSSHMSRIOYOKOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(CC(O)=O)C(=O)Oc2c(C)c(OCc3cccc(c3)C(F)(F)F)ccc12 |
| SMILES | CACTVS | 3.385 | CC1=C(CC(O)=O)C(=O)Oc2c(C)c(OCc3cccc(c3)C(F)(F)F)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1OC(=O)C(=C2C)CC(=O)O)OCc3cccc(c3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1OC(=O)C(=C2C)CC(=O)O)OCc3cccc(c3)C(F)(F)F |
