Chem
J-GLOBAL ID:200907086755304273
Nikkaji number:J758.974C
3-(4-Ethyl-3-nitrophenyl)-3-(2,3,4-trihydroxyphenyl)isobenzofuran-1(3H)-one
3-(4-エチル-3-ニトロフェニル)-3-(2,3,4-トリヒドロキシフェニル)イソベンゾフラン-1(3H)-オン
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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:
C22 H17 [N+]O6 [O-]
Molecular formula furigana:
C22-H17-N-O7
Molecular weight:
407.378
InChI:
InChI=1S/C22H17NO7/c1-2-12-7-8-13(11-17(12)23(28)29)22(16-9-10-18(24)20(26)19(16)25)15-6-4-3-5-14(15)21(27)30-22/h3-11,24-26H,2H2,1H3
InChI key:
IJVMTZDWGYYJBY-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1[N+](=O)[O-])C1(OC(=O)c2ccccc12)c1ccc(O)c(O)c1O
Systematic name (3):
3-(4-エチル-3-ニトロフェニル)-3-(2,3,4-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-(2,3,4-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-(2,3,4-trihydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one
Other name (1):
3-(4-Ethyl-3-nitrophenyl)-3-(2,3,4-trihydroxyphenyl)isobenzofuran-1(3H)-one
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