Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(O)C(O)C(O)C(O1)C)OC2C(OCCCCCC)OC(CO)C(C2O)O |
InChI | InChI | 1.03 | InChI=1S/C18H34O10/c1-3-4-5-6-7-25-18-16(14(23)12(21)10(8-19)27-18)28-17-15(24)13(22)11(20)9(2)26-17/h9-24H,3-8H2,1-2H3/t9-,10+,11+,12-,13+,14-,15-,16+,17-,18+/m0/s1 |
InChIKey | InChI | 1.03 | FTONAEAQJAJCLK-LYVNYESWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O |
SMILES | CACTVS | 3.385 | CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCOC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)C)O)O)O |