Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)CO)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H](O[S]([O-])([O-])[O-])[C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO |
SMILES | CACTVS | 3.341 | OC[CH](O[S]([O-])([O-])[O-])[CH](O)CN1C[CH](O)[CH](O)[CH]1CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(N1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1 |
InChIKey | InChI | 1.03 | YWOSRVQDYDWMAB-JBXPSPKUSA-K |