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CHEBI:4720 - DuP 697

ChEBI IDCHEBI:4720
ChEBI NameDuP 697
Stars
Last Modified24 February 2016
DownloadsMolfile
FormulaC17H12BrFO2S2
Net Charge0
Average Mass411.317
Monoisotopic Mass409.94461
SMILESCS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
InChIKeyAJFTZWGGHJXZOB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
DuP 697 (CHEBI:4720) is a thiophenes (CHEBI:26961)
Synonym  Source
DuP 697KEGG COMPOUND
Manual XrefsDatabases
C11704KEGG COMPOUND
LSM-2119LINCS
Registry NumbersSources
CAS:88149-94-4KEGG COMPOUND