種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C2(O)=C(c1ccccc1)C(C(=C(C2O)c3ccccc3)O)=O |
InChI | InChI | 1.03 | InChI=1S/C18H14O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,15,19-21H/t15-/m0/s1 |
InChIKey | InChI | 1.03 | ODPMSLCGNZJREU-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C(=C(c2ccccc2)C(=O)C(=C1c3ccccc3)O)O |
SMILES | CACTVS | 3.385 | O[CH]1C(=C(c2ccccc2)C(=O)C(=C1c3ccccc3)O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=C(C(=O)C(=C(C2O)O)c3ccccc3)O |