| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)COc2ccc(OCCCOc1ccc(C(=O)C)c(O)c1CCC)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCc1c(O)c(ccc1OCCCOc2ccc(OCC(O)=O)cc2)C(C)=O |
| SMILES | CACTVS | 3.341 | CCCc1c(O)c(ccc1OCCCOc2ccc(OCC(O)=O)cc2)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25) |
| InChIKey | InChI | 1.03 | HBBVCKCCQCQCTJ-UHFFFAOYSA-N |
