Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1c(F)c(c(F)c(F)c1S(=O)(=O)N)S(=O)(=O)CCO |
InChI | InChI | 1.03 | InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18) |
InChIKey | InChI | 1.03 | WZGGLNWNBUCLIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)(=O)CCO |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)(=O)CCO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O |