EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H16O4S |
| Net Charge | 0 |
| Average Mass | 256.323 |
| Monoisotopic Mass | 256.07693 |
| SMILES | CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2 |
| InChI | InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3 |
| InChIKey | QGQSRQPXXMTJCM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Benfuresate (CHEBI:81756) is a benzofurans (CHEBI:35259) |