Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O1C(C(O)C(O)C(O)C14ONC(c3cc2ccccc2cc3)C4)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@]2(C[C@H](NO2)c3ccc4ccccc4c3)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.341 | OC[CH]1O[C]2(C[CH](NO2)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)C3CC4(C(C(C(C(O4)CO)O)O)O)ON3 |
InChI | InChI | 1.03 | InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1 |
InChIKey | InChI | 1.03 | ZCJBDRSKHARECB-PYTCMNEWSA-N |