| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CC(C)(C)OC(=O)C1CC(Cc2ccccc2)(CCC1=O)C(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C20H26O5/c1-19(2,3)25-17(22)15-13-20(18(23)24-4,11-10-16(15)21)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-,20-/m1/s1 |
| InChIKey | InChI | 1.06 | WAKMFGLCJLDCIS-FOIQADDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@]1(CCC(=O)[C@@H](C1)C(=O)OC(C)(C)C)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | COC(=O)[C]1(CCC(=O)[CH](C1)C(=O)OC(C)(C)C)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)[C@@H]1C[C@@](CCC1=O)(Cc2ccccc2)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)C1CC(CCC1=O)(Cc2ccccc2)C(=O)OC |
