| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc(c1O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7- |
| InChIKey | InChI | 1.03 | RMTXUPIIESNLPW-UTOQUPLUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC\C=C/C\C=C/CCCCCCCc1cccc(O)c1O |
| SMILES | CACTVS | 3.385 | CCCC=CCC=CCCCCCCCc1cccc(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCC=CCC=CCCCCCCCc1cccc(c1O)O |
