Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1C(OCC(C(O)C1O)OCCCCCCC)CO |
InChI | InChI | 1.03 | InChI=1S/C14H28O6/c1-2-3-4-5-6-7-19-11-9-20-10(8-15)12(16)14(18)13(11)17/h10-18H,2-9H2,1H3/t10-,11+,12-,13-,14+/m1/s1 |
InChIKey | InChI | 1.03 | WXAPBESCSQWOGD-ITGHMWBKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCO[C@H]1CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | CCCCCCCO[CH]1CO[CH](CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCOC1COC(C(C(C1O)O)O)CO |