| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCCC(O)/C=C/C1OC1CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@H]1O[C@@H]1/C=C/[C@@H](O)CCCCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCC[CH]1O[CH]1C=C[CH](O)CCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC[C@@H]1[C@H](O1)\C=C\[C@H](CCCCCCCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC1C(O1)C=CC(CCCCCCCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H32O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/t15-,16+,17+/m0/s1 |
| InChIKey | InChI | 1.03 | WCCLYKMJXGYGEN-WFZKJPOOSA-N |
