| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc3cc(Cl)ccc3Oc1ccc(cc1O)CCCc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(CCCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl |
| SMILES | CACTVS | 3.341 | Oc1cc(CCCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C21H18Cl2O2/c22-17-10-12-20(18(23)14-17)25-21-11-9-16(13-19(21)24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,24H,4,7-8H2 |
| InChIKey | InChI | 1.03 | MJRPBNSOVIMDHN-UHFFFAOYSA-N |
