CHEBI:81756 - Benfuresate

ChEBI IDCHEBI:81756
ChEBI NameBenfuresate
Stars
DownloadsMolfile
FormulaC12H16O4S
Net Charge0
Average Mass256.323
Monoisotopic Mass256.07693
SMILESCCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2
InChIInChI=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
InChIKeyQGQSRQPXXMTJCM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Benfuresate (CHEBI:81756) is a benzofurans (CHEBI:35259)
Manual XrefsDatabases
C18452KEGG COMPOUND
64PPDB
Registry NumbersSources
CAS:68505-69-1KEGG COMPOUND