Chem
J-GLOBAL ID:200907050710992379   Nikkaji number:J975.632I

3,3-Bis(4-hydroxy-3-nitrophenyl)isobenzofuran-1(3H)-one

3,3-ビス(4-ヒドロキシ-3-ニトロフェニル)イソベンゾフラン-1(3H)-オン
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: C20H12[N+]2O6[O-]2
Molecular formula furigana: C20-H12-N2-O8
Molecular weight: 408.322
InChI: InChI=1S/C20H12N2O8/c23-17-7-5-11(9-15(17)21(26)27)20(12-6-8-18(24)16(10-12)22(28)29)14-4-2-1-3-13(14)19(25)30-20/h1-10,23-24H
InChI key: ILNAKHGFKXCKJG-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1[N+](=O)[O-])C1(OC(=O)c2ccccc12)c1ccc(O)c(c1)[N+](=O)[O-]
Systematic name  (3):
  • 3,3-ビス(4-ヒドロキシ-3-ニトロフェニル)イソベンゾフラン-1(3H)-オン
  • 3,3-ビス(4-ヒドロキシ-3-ニトロフェニル)-1,3-ジヒドロ-2-ベンゾフラン-1-オン
  • 3,3-bis(4-hydroxy-3-nitrophenyl)-1,3-dihydro-2-benzofuran-1-one
Other name (1):
  • 3,3-Bis(4-hydroxy-3-nitrophenyl)isobenzofuran-1(3H)-one
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