Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |
SMILES | CACTVS | 3.341 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(C(C(C(O1)CO)O)O)SC2C(C(C(C(O2)CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-
,8+,9+,10+,11+,12+,13-/m1/s1 |
InChIKey | InChI | 1.03 | WAYOKHSZGNFKSX-ZEEOCKJESA-N |