| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCCCC1CC1C/C=C/CCC |
| InChI | InChI | 1.03 | InChI=1S/C19H34O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h4,10,17-18H,2-3,5-9,11-16H2,1H3,(H,20,21)/b10-4+/t17-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | MGOIQHKBDDJUJK-XVSUHRFUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCC=CC[CH]1C[CH]1CCCCCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCC=CCC1CC1CCCCCCCCCC(=O)O |
