Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C14H26N4O9/c15-18-16-1-2-24-3-4-25-5-6-26-8-10(20)17-11-9(7-19)27-14(23)13(22)12(11)21/h9,11-15,19,21-23H,1-8H2/p+1/t9-,11-,12+,13-,14-/m1/s1 |
InChIKey | InChI | 1.06 | RPRHCZBAXXPRCX-RGCYKPLRSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1NC(=O)COCCOCCOCCN=[N+]=N |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(=O)COCCOCCOCCN=[N+]=N |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(COCCOCCOCC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)N=[N+]=N |
SMILES | OpenEye OEToolkits | 3.1.0.0 | C(COCCOCCOCC(=O)NC1C(OC(C(C1O)O)O)CO)N=[N+]=N |