| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CCCCC1COc1ccc(Cl)c(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m1/s1 |
| InChIKey | InChI | 1.06 | QHYRPWZFRRIKQC-MWLCHTKSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCC[C@@H]1COc2ccc(Cl)c(Cl)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCC[CH]1COc2ccc(Cl)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OC[C@H]2CCCC[C@H]2C(=O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OCC2CCCCC2C(=O)O)Cl)Cl |
