Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H14F2O5/c14-7-2-8(15)4-9(3-7)20-10-1-6(5-16)11(17)13(19)12(10)18/h1-4,10-13,16-19H,5H2/t10-,11-,12-,13-/m0/s1 |
InChIKey | InChI | 1.03 | CSNIOFGNOFVRRH-CYDGBPFRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC1=C[C@H](Oc2cc(F)cc(F)c2)[C@H](O)[C@@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | OCC1=C[CH](Oc2cc(F)cc(F)c2)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(cc1F)F)OC2C=C(C(C(C2O)O)O)CO |