Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [N-]=[N+]=N/C1(OC(C(O)C(O)C1O)CO)C(O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=[N+]=[N-] |
SMILES | CACTVS | 3.341 | N[CH](O)[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)N=[N+]=[N-] |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)(C(N)O)N=[N+]=[N-])O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1 |
InChIKey | InChI | 1.03 | LAKOUYZWWLMCSL-JBFGQTLDSA-N |