Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C15H12F4O3S2/c1-24(21,22)14-11-10(2-3-15(18,19)13(11)20)12(23-14)7-4-8(16)6-9(17)5-7/h4-6,13,20H,2-3H2,1H3/t13-/m0/s1 |
InChIKey | InChI | 1.06 | SSIWQCYLGHKCQZ-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1sc(c2CCC(F)(F)[C@@H](O)c12)c3cc(F)cc(F)c3 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1sc(c2CCC(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)CCC([C@H]2O)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CCC(C2O)(F)F |