CHEBI:81893 - Difethialone

ChEBI IDCHEBI:81893
ChEBI NameDifethialone
Stars
DownloadsMolfile
FormulaC31H23BrO2S
Net Charge0
Average Mass539.494
Monoisotopic Mass538.06021
SMILESO=c1sc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21
InChIInChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2
InChIKeyJHELOZJAKXYVBE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Difethialone (CHEBI:81893) is a benzenes (CHEBI:22712)
Difethialone (CHEBI:81893) is a naphthalenes (CHEBI:25477)
Difethialone (CHEBI:81893) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
C18695KEGG COMPOUND
233PPDB
Registry NumbersSources
CAS:104653-34-1KEGG COMPOUND