Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C14H10F4O3S2/c1-23(20,21)13-10-9(5-14(17,18)12(10)19)11(22-13)6-2-7(15)4-8(16)3-6/h2-4,12,19H,5H2,1H3/t12-/m0/s1 |
InChIKey | InChI | 1.06 | UWHUYKGCGHNLEP-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1sc(c2CC(F)(F)[C@@H](O)c12)c3cc(F)cc(F)c3 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1sc(c2CC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CC([C@H]2O)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CC(C2O)(F)F |