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CHEBI:80011 - B 823-08

ChEBI IDCHEBI:80011
ChEBI NameB 823-08
Stars
DownloadsMolfile
FormulaC16H14F3N3OS
Net Charge0
Average Mass353.369
Monoisotopic Mass353.08097
SMILESCOc1ccnc(CSc2nc3ccc(C(F)(F)F)cc3n2)c1C
InChIInChI=1S/C16H14F3N3OS/c1-9-13(20-6-5-14(9)23-2)8-24-15-21-11-4-3-10(16(17,18)19)7-12(11)22-15/h3-7H,8H2,1-2H3,(H,21,22)
InChIKeyCEXGUUCQSXKHRS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
B 823-08 (CHEBI:80011) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
C15664KEGG COMPOUND
Registry NumbersSources
CAS:86604-69-5KEGG COMPOUND