種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Oc1ccc(cc1)C2OCC3(CCC(C2C3C)C)CO |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1CC[C@]2(CO)CO[C@@H]([C@H]1[C@H]2C)c3ccc(O)cc3 |
SMILES | CACTVS | 3.341 | C[CH]1CC[C]2(CO)CO[CH]([CH]1[CH]2C)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CCC2(COC(C1C2C)c3ccc(cc3)O)CO |
InChI | InChI | 1.03 | InChI=1S/C17H24O3/c1-11-7-8-17(9-18)10-20-16(15(11)12(17)2)13-3-5-14(19)6-4-13/h3-6,11-12,15-16,18-19H,7-10H2,1-2H3/t11-,12+,15+,16+,17-/m0/s1 |
InChIKey | InChI | 1.03 | YMSZEVAWRFDVQX-GHVWTTSJSA-N |