Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1 |
InChIKey | InChI | 1.03 | CRKVWMQHXZHLCV-SXUWKVJYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@@H](O)[C@@H](O[S](O)(=O)=O)[C@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | C[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)O)OS(=O)(=O)O)O)O |