Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/t4-,5-,6+,7-,8+/m1/s1 |
InChIKey | InChI | 1.03 | SYRNRUURZIIPLL-CBQIKETKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1[C@@H](O)O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@@H]1OC |
SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COC1C(C(OC(C1OC)O)COS(=O)(=O)O)O |