Chem
J-GLOBAL ID：200907027697883229   Nikkaji number：J1.377.211H

1,2,3-Tris[bis(4-nitrophenyl)methylene]cyclopropane

1,2,3-トリス[ビス(4-ニトロフェニル)メチレン]シクロプロパン
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： C42H24[N+]6O6[O-]6
Molecular formula furigana： C42-H24-N6-O12
Molecular weight： 804.684
InChI： InChI=1S/C42H24N6O12/c49-43(50)31-13-1-25(2-14-31)37(26-3-15-32(16-4-26)44(51)52)40-41(38(27-5-17-33(18-6-27)45(53)54)28-7-19-34(20-8-28)46(55)56)42(40)39(29-9-21-35(22-10-29)47(57)58)30-11-23-36(24-12-30)48(59)60/h1-24H
InChI key： FIRIWHCPBIKTBY-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc(cc1)C(=C1C(=C(c2ccc(cc2)[N+](=O)[O-])c2ccc(cc2)[N+](=O)[O-])C1=C(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 1,2,3-トリス[ビス(4-ニトロフェニル)メチレン]シクロプロパン
  • 1-({2,3-ビス[ビス(4-ニトロフェニル)メチリデン]シクロプロピリデン}(4-ニトロフェニル)メチル)-4-ニトロベンゼン
  • 1-({2,3-bis[bis(4-nitrophenyl)methylidene]cyclopropylidene}(4-nitrophenyl)methyl)-4-nitrobenzene
Other name (1)：
  • 1,2,3-Tris[bis(4-nitrophenyl)methylene]cyclopropane
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