Chem
J-GLOBAL ID：200907028932120234   Nikkaji number：J758.973E

3-(4-Ethyl-3-nitrophenyl)-3-(2,4,6-trihydroxyphenyl)isobenzofuran-1(3H)-one

3-(4-エチル-3-ニトロフェニル)-3-(2,4,6-トリ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： C22H17[N+]O6[O-]
Molecular formula furigana： C22-H17-N-O7
Molecular weight： 407.378
InChI： InChI=1S/C22H17NO7/c1-2-12-7-8-13(9-17(12)23(28)29)22(20-18(25)10-14(24)11-19(20)26)16-6-4-3-5-15(16)21(27)30-22/h3-11,24-26H,2H2,1H3
InChI key： WKTJUXWHYLWUMW-UHFFFAOYSA-N
SMILES： CCc1ccc(cc1[N+](=O)[O-])C1(OC(=O)c2ccccc12)c1c(O)cc(O)cc1O
Systematic name  (3)：
  • 3-(4-エチル-3-ニトロフェニル)-3-(2,4,6-トリヒドロキシフェニル)イソベンゾフラン-1(3H)-オン
  • 3-(4-エチル-3-ニトロフェニル)-3-(2,4,6-トリヒドロキシフェニル)-1,3-ジヒドロ-2-ベンゾフラン-1-オン
  • 3-(4-ethyl-3-nitrophenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one
Other name (1)：
  • 3-(4-Ethyl-3-nitrophenyl)-3-(2,4,6-trihydroxyphenyl)isobenzofuran-1(3H)-one
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