Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(C(C(C(C1NC(C(F)(F)F)=O)O)O)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H14F3NO6/c10-9(11,12)8(19)13-3-6(17)4(15)2(1-14)5(16)7(3)18/h2-7,14-18H,1H2,(H,13,19)/t2-,3-,4-,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | RPAYCNWWSJECNN-ZGGPPPIHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)NC(=O)C(F)(F)F)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(C(C1O)O)NC(=O)C(F)(F)F)O)O)O |