種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(\c3ccc(O)cc3)CC)CC |
SMILES_CANONICAL | CACTVS | 3.370 | CCOc1ccc(cc1)C(=C(/CC)c2ccc(O)cc2)/c3ccc(O)cc3 |
SMILES | CACTVS | 3.370 | CCOc1ccc(cc1)C(=C(CC)c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC)/c3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCC)c3ccc(cc3)O |
InChI | InChI | 1.03 | InChI=1S/C24H24O3/c1-3-23(17-5-11-20(25)12-6-17)24(18-7-13-21(26)14-8-18)19-9-15-22(16-10-19)27-4-2/h5-16,25-26H,3-4H2,1-2H3/b24-23- |
InChIKey | InChI | 1.03 | ARCUKWDDBMOVTN-VHXPQNKSSA-N |