Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(C(C(C(C1O)O)O)CO)NCCCCCCCC\N=[N+]=N)O |
InChI | InChI | 1.03 | InChI=1S/C15H31N4O5/c16-19-18-8-6-4-2-1-3-5-7-17-11-10(9-20)12(21)14(23)15(24)13(11)22/h10-17,20-24H,1-9H2/q+1/t10-,11-,12+,13+,14-,15-/m0/s1 |
InChIKey | InChI | 1.03 | KPTZFIOZQLVZBJ-SAAWNECCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1NCCCCCCCCN=[N+]=N |
SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1NCCCCCCCCN=[N+]=N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO |
SMILES | OpenEye OEToolkits | 2.0.4 | C(CCCCN=[N+]=N)CCCNC1C(C(C(C(C1O)O)O)O)CO |