Chem
J-GLOBAL ID：200907035071240418   Nikkaji number：J1.548.234F

2-(α-Hydroxy-4-nitrobenzyl)-4,4,5-trimethyl-5-(2-chloroethoxy)-4,5-dihydrofuran-3(2H)-one

5-(2-クロロエトキシ)-2-[ヒドロキシ(4-ニトロフェニル)メチル]-4,4,5-トリメチルオキソラン-3-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： C16H20Cl[N+]O5[O-]
Molecular formula furigana： C16-H20-CL-N-O6
Molecular weight： 357.790
InChI： InChI=1S/C16H20ClNO6/c1-15(2)14(20)13(24-16(15,3)23-9-8-17)12(19)10-4-6-11(7-5-10)18(21)22/h4-7,12-13,19H,8-9H2,1-3H3
InChI key： DYPQEWWXWNMIHE-UHFFFAOYSA-N
SMILES： CC1(C)C(=O)C(OC1(C)OCCCl)C(O)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 2-(α-ヒドロキシ-4-ニトロベンジル)-4,4,5-トリメチル-5-(2-クロロエトキシ)-4,5-ジヒドロフラン-3(2H)-オン
  • 5-(2-クロロエトキシ)-2-[ヒドロキシ(4-ニトロフェニル)メチル]-4,4,5-トリメチルオキソラン-3-オン
  • 5-(2-chloroethoxy)-2-[hydroxy(4-nitrophenyl)methyl]-4,4,5-trimethyloxolan-3-one
Other name (1)：
  • 2-(α-Hydroxy-4-nitrobenzyl)-4,4,5-trimethyl-5-(2-chloroethoxy)-4,5-dihydrofuran-3(2H)-one
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