Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O2C(COC1(OC(C(O)C1O)CO)CO)C(O)C(O)C2(O)CO |
InChI | InChI | 1.03 | InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1 |
InChIKey | InChI | 1.03 | FEXBYMWJVRXRSN-TWOHWVPZSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.370 | OC[CH]1O[C](CO)(OC[CH]2O[C](O)(CO)[CH](O)[CH]2O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)O)O)O)O)O)O |