Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(F)C(O)C(O)C(CO)O1)OC2C(C(C(OC2CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C12H21FO10/c13-5-7(17)6(16)3(1-14)22-12(5)23-10-4(2-15)21-11(20)9(19)8(10)18/h3-12,14-20H,1-2H2/t3-,4-,5-,6+,7
-,8-,9-,10-,11-,12+/m1/s1 |
InChIKey | InChI | 1.03 | KWMZPXRIEZDXAQ-QRZGKKJRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](F)[C@@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](F)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)F)O)O)O |