Chem
J-GLOBAL ID：200907035920854565   Nikkaji number：J35.399J

1,8-Dinitropyrene

1,8-ジニトロピレン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C16H8[N+]2O2[O-]2
Molecular formula furigana： C16-H8-N2-O4
Molecular weight： 292.250
InChI： InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H
InChI key： BLYXNIHKOMELAP-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34
Systematic name  (2)：
  • 1,8-ジニトロピレン
  • 1,8-dinitropyrene
Other name (1)：
  • 1,8-Dinitropyrene
CAS registry number： 42397-65-9
Regulation number (1)：
  • UR2456000
KEGG COMPOUND： C14423
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