Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11-/m0/s1 |
InChIKey | InChI | 1.03 | DUYYBTBDYZXISX-MMWGEVLESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[N+](=O)[O-])OC2C(C(C(O2)CO)O)O |