Chem
J-GLOBAL ID：201607010553766444   Nikkaji number：J3.502.900A

Trioxotriangulene

トリオキソトリアンギュレン
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： C22H9O3
Molecular formula furigana： C22-H9-O3
Molecular weight： 321.311
InChI： InChI=1S/C22H9O3/c23-20-10-4-1-5-11-16(10)19-17-12(20)6-2-8-14(17)22(25)15-9-3-7-13(18(15)19)21(11)24/h1-9H
InChI key： ZSHZJZOIIAXZKP-UHFFFAOYSA-N
SMILES： [O]c1c2cccc3c2c2c4c1cccc4c(=O)c1cccc(c21)c3=O
Systematic name  (3)：
  • (8,12-ジオキソ-8H,12H-ジベンゾ[cd,mn]ピレン-4-イルオキシ)ラジカル
  • {14,22-ジオキソヘキサシクロ[11.7.1.13,19.02,7.09,21.015,20]ドコサ-1,3,5,7,9,11,13(21),15,17,19-デカエン-8-イル}オキシダニル
  • {14,22-dioxohexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9,11,13(21),15,17,19-decaen-8-yl}oxidanyl
Other name (3)：
  • (8,12-Dioxo-8H,12H-dibenzo[cd,mn]pyrene-4-yloxy)radical
  • トリオキソトリアンギュレン
  • Trioxotriangulene
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