Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO |
InChI | InChI | 1.03 | InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1 |
InChIKey | InChI | 1.03 | RULSWEULPANCDV-PIXUTMIVSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO |
SMILES | CACTVS | 3.370 | OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C(=O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | C(C1C(C(C(C(O1)OC(C(C(CO)O)O)C(=O)CO)O)O)O)O |