Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(O)C(C(C(O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)OC |
InChI | InChI | 1.03 | InChI=1S/C17H22O9/c1-23-17-15(22)16(14(21)11(8-18)25-17)26-13(20)7-12(19)24-9-10-5-3-2-4-6-10/h2-6,11,14-18,21-22H,7-9H2,1H3/t11-,14+,15-,16+,17-/m1/s1 |
InChIKey | InChI | 1.03 | NMJLHFMLSWSVNI-GNXUOLQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)CC(=O)OCc2ccccc2)[C@H]1O |
SMILES | CACTVS | 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)CC(=O)OCc2ccccc2)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COC1C(C(C(C(O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O |