Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(c2c1C(O)CC2)Oc3cc(F)cc(c3)F |
InChI | InChI | 1.03 | InChI=1S/C16H11F5O2/c17-8-5-9(18)7-10(6-8)23-14-4-2-12(16(19,20)21)15-11(14)1-3-13(15)22/h2,4-7,13,22H,1,3H2/t13-/m1/s1 |
InChIKey | InChI | 1.03 | WYQNGHURDXWRST-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCc2c(Oc3cc(F)cc(F)c3)ccc(c12)C(F)(F)F |
SMILES | CACTVS | 3.385 | O[CH]1CCc2c(Oc3cc(F)cc(F)c3)ccc(c12)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)Oc3cc(cc(c3)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1C(F)(F)F)C(CC2)O)Oc3cc(cc(c3)F)F |