| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)/C(c2ccc(cc2)O)=C3/CC(CCC3)SC |
| InChI | InChI | 1.03 | InChI=1S/C20H22O2S/c1-23-19-4-2-3-16(13-19)20(14-5-9-17(21)10-6-14)15-7-11-18(22)12-8-15/h5-12,19,21-22H,2-4,13H2,1H3/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | OTONLNOSZVKIHK-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CS[C@H]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | CS[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CSC1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1 |
