Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC)CCCCCCCCOC1OC(C(O)C(O)C1O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | COC(=O)CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1 |
InChIKey | InChI | 1.03 | ZJZBQHWSENWEMY-DZQJYWQESA-N |