Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1C(O)C(OC1(O)CO)CC(O)CCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C14H28O6/c1-2-3-4-5-6-7-10(16)8-11-12(17)13(18)14(19,9-15)20-11/h10-13,15-19H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1 |
InChIKey | InChI | 1.03 | ACFOUPJNYNVPQE-XGFWRYKXSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCC[C@@H](O)C[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.370 | CCCCCCC[CH](O)C[CH]1O[C](O)(CO)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(CC1C(C(C(O1)(CO)O)O)O)O |