種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(\C=C\c1ccc(O)c(OC)c1)CC(=O)\C=C\c2cc(OC)c(O)cc2 |
InChI | InChI | 1.03 | InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ |
InChIKey | InChI | 1.03 | VFLDPWHFBUODDF-FCXRPNKRSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O |
SMILES | CACTVS | 3.370 | COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O |