Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(OC)cc(c1O)C2OC(CO)C(O)C(O)C2O |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(Cl)c(O)c(c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |
SMILES | CACTVS | 3.370 | COc1cc(Cl)c(O)c(c1)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(c(c(c1)Cl)O)C2C(C(C(C(O2)CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C13H17ClO7/c1-20-5-2-6(9(16)7(14)3-5)13-12(19)11(18)10(17)8(4-15)21-13/h2-3,8,10-13,15-19H,4H2,1H3/t8-,10-,11+,12-,13+/m1/s1 |
InChIKey | InChI | 1.03 | MBLREHINSXJTTD-ZMHPAJMFSA-N |