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CHEBI:82456 - 1,3-Dinitropyrene

ChEBI IDCHEBI:82456
ChEBI Name1,3-Dinitropyrene
Stars
DownloadsMolfile
FormulaC16H8N2O4
Net Charge0
Average Mass292.250
Monoisotopic Mass292.04841
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2ccc3cccc4ccc1c2c43
InChIInChI=1S/C16H8N2O4/c19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H
InChIKeyKTNUVDBUEAQUON-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-Dinitropyrene (CHEBI:82456) is a pyrenes (CHEBI:59659)
Manual XrefsDatabases
C19408KEGG COMPOUND
Registry NumbersSources
CAS:75321-20-9KEGG COMPOUND