| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c1c(cc(O)cc1O)CC(=O)OCCCCC)CCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C22H34O5/c1-3-5-7-8-9-10-12-19(24)22-17(14-18(23)16-20(22)25)15-21(26)27-13-11-6-4-2/h14,16,23,25H,3-13,15H2,1-2H3 |
| InChIKey | InChI | 1.03 | FCKDHZVFIMRCNM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC |
