Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCCCCN1CC(C(C(C1CO)O)O)O)CCCOC |
InChI | InChI | 1.03 | InChI=1S/C16H33NO5/c1-22-10-8-6-4-2-3-5-7-9-17-11-14(19)16(21)15(20)13(17)12-18/h13-16,18-21H,2-12H2,1H3/t13-,14+,15-,16-/m1/s1 |
InChIKey | InChI | 1.03 | TYTARGBBJQKLAJ-QKPAOTATSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
SMILES | CACTVS | 3.385 | COCCCCCCCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | COCCCCCCCCCN1CC(C(C(C1CO)O)O)O |