Chem
J-GLOBAL ID：201907013894334195   Nikkaji number：J3.735.379E

3,3-Bis(4-hydroxy-3,5-dinitrophenyl)-6-nitro-1(3H)-isobenzofuranone

3,3-ビス(4-ヒドロキシ-3,5-ジニトロフェニル)-6-ニトロ-1(3H)-イソベンゾフラノン
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： C20H9N5O14
Molecular formula furigana： C20-H9-N5-O14
Molecular weight： 543.313
InChI： InChI=1S/C20H9N5O14/c26-17-13(22(31)32)3-8(4-14(17)23(33)34)20(9-5-15(24(35)36)18(27)16(6-9)25(37)38)12-2-1-10(21(29)30)7-11(12)19(28)39-20/h1-7,26-27H
InChI key： KBNWGSIFUWWMQG-UHFFFAOYSA-N
SMILES： C1(=O)OC(c2ccc(cc12)[N+](=O)[O-])(c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]
Systematic name  (3)：
  • 3,3-ビス(4-ヒドロキシ-3,5-ジニトロフェニル)-6-ニトロ-1(3H)-イソベンゾフラノン
  • 3,3-ビス(4-ヒドロキシ-3,5-ジニトロフェニル)-6-ニトロ-1,3-ジヒドロ-2-ベンゾフラン-1-オン
  • 3,3-Bis(4-hydroxy-3,5-dinitrophenyl)-6-nitro-1,3-dihydro-2-benzofuran-1-one
Other name (1)：
  • 3,3-Bis(4-hydroxy-3,5-dinitrophenyl)-6-nitro-1(3H)-isobenzofuranone
Thsaurus map：
Thesaurus Map

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