| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Oc4cc3c(C2=C(c1ccc(O)cc1CC2CC)C(CC)C3)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@@H]1Cc2cc(O)ccc2C3=C1c4ccc(O)cc4C[C@H]3CC |
| SMILES | CACTVS | 3.341 | CC[CH]1Cc2cc(O)ccc2C3=C1c4ccc(O)cc4C[CH]3CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC1Cc2cc(ccc2C3=C1c4ccc(cc4CC3CC)O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | MASYAWHPJCQLSW-ZIAGYGMSSA-N |
