Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2OCC(Cc1cc(OC)c(O)cc1)C2Cc3ccc(O)c(OC)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O |
SMILES | CACTVS | 3.341 | COc1cc(C[CH]2COC(=O)[CH]2Cc3ccc(O)c(OC)c3)ccc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)CC2COC(=O)C2Cc3ccc(c(c3)OC)O |
InChI | InChI | 1.03 | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 |
InChIKey | InChI | 1.03 | MATGKVZWFZHCLI-LSDHHAIUSA-N |