| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C |
| SMILES | CACTVS | 3.370 | CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
| InChIKey | InChI | 1.03 | NCYCYZXNIZJOKI-OVSJKPMPSA-N |
