Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1 |
InChIKey | InChI | 1.03 | HEGSGKPQLMEBJL-RKQHYHRCSA-N |