種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)\C(=C2\CCCC(C2)CCO)c3ccc(cc3)O |
InChI | InChI | 1.03 | InChI=1S/C21H24O3/c22-13-12-15-2-1-3-18(14-15)21(16-4-8-19(23)9-5-16)17-6-10-20(24)11-7-17/h4-11,15,22-24H,1-3,12-14H2/t15-/m1/s1 |
InChIKey | InChI | 1.03 | VAVQANAFORJBCW-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@H]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | OCC[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=C2CCCC(C2)CCO)c3ccc(cc3)O)O |