EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20F2O6S2 |
| Net Charge | 0 |
| Average Mass | 458.504 |
| Monoisotopic Mass | 458.06694 |
| SMILES | O=S(=O)(c1ccc2c(c1)OCCO2)C1CCC(S(=O)(=O)c2c(F)cccc2F)CC1 |
| InChI | InChI=1S/C20H20F2O6S2/c21-16-2-1-3-17(22)20(16)30(25,26)14-6-4-13(5-7-14)29(23,24)15-8-9-18-19(12-15)28-11-10-27-18/h1-3,8-9,12-14H,4-7,10-11H2 |
| InChIKey | OTWVDUYNRRJNNO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[4-(2,6-difluorophenyl)sulfonylcyclohexyl]sulfonyl-2,3-dihydro-1,4-benzodioxin (CHEBI:92966) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3230 | LINCS |