Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO |
InChI | InChI | 1.03 | InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1 |
InChIKey | InChI | 1.03 | NMELTECMHKKXLF-DGQJZECASA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.370 | OC[CH](O)[CH](O)[CH](O)C(=O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)OCC(=O)C(C(C(CO)O)O)O)O)O)O)O |