Chem
J-GLOBAL ID：200907057356143789   Nikkaji number：J758.976J

3-(4-Ethyl-3-nitrophenyl)-3-(3,5-dibromo-2,4-dihydroxyphenyl)isobenzofuran-1(3H)-one

3-(4-エチル-3-ニトロフェニル)-3-(3,5-ジブロモ-2,4-ジヒドロキシフェニル)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： C22H15Br2[N+]O5[O-]
Molecular formula furigana： C22-H15-BR2-N-O6
Molecular weight： 549.171
InChI： InChI=1S/C22H15Br2NO6/c1-2-11-7-8-12(9-17(11)25(29)30)22(14-6-4-3-5-13(14)21(28)31-22)15-10-16(23)20(27)18(24)19(15)26/h3-10,26-27H,2H2,1H3
InChI key： GSFYACUDXHMEJT-UHFFFAOYSA-N
SMILES： CCc1ccc(cc1[N+](=O)[O-])C1(OC(=O)c2ccccc12)c1cc(Br)c(O)c(Br)c1O
Systematic name  (3)：
  • 3-(4-エチル-3-ニトロフェニル)-3-(3,5-ジブロモ-2,4-ジヒドロキシフェニル)イソベンゾフラン-1(3H)-オン
  • 3-(3,5-ジブロモ-2,4-ジヒドロキシフェニル)-3-(4-エチル-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-(3,5-dibromo-2,4-dihydroxyphenyl)-3-(4-ethyl-3-nitrophenyl)-1,3-dihydro-2-benzofuran-1-one
Other name (1)：
  • 3-(4-Ethyl-3-nitrophenyl)-3-(3,5-dibromo-2,4-dihydroxyphenyl)isobenzofuran-1(3H)-one
Thsaurus map：
Thesaurus Map

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