種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1c(ccc(c1)O)/C(c2ccc(cc2)O)=C3\CCC(CC3)CCO |
InChI | InChI | 1.03 | InChI=1S/C21H24O3/c22-14-13-15-1-3-16(4-2-15)21(17-5-9-19(23)10-6-17)18-7-11-20(24)12-8-18/h5-12,15,22-24H,1-4,13-14H2 |
InChIKey | InChI | 1.03 | YQPOGTYYEGSNFP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | OCC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O |