Chem
J-GLOBAL ID：200907006375378327   Nikkaji number：J1.548.235D

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

4-{[5-(2-クロロエトキシ)-4,4,5-トリメチル-3-オキソオキソラン-2-イル](ヒドロキシ)メチル}ベンゾニトリル
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： C17H20ClNO4
Molecular formula furigana： C17-H20-CL-N-O4
Molecular weight： 337.800
InChI： InChI=1S/C17H20ClNO4/c1-16(2)15(21)14(23-17(16,3)22-9-8-18)13(20)12-6-4-11(10-19)5-7-12/h4-7,13-14,20H,8-9H2,1-3H3
InChI key： RMKQPAVDOZVMMN-UHFFFAOYSA-N
SMILES： CC1(C)C(=O)C(OC1(C)OCCCl)C(O)c1ccc(cc1)C#N
Systematic name  (3)：
  • 2-(α-ヒドロキシ-4-シアノベンジル)-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
  • 4-{[5-(2-クロロエトキシ)-4,4,5-トリメチル-3-オキソオキソラン-2-イル](ヒドロキシ)メチル}ベンゾニトリル
  • 4-{[5-(2-chloroethoxy)-4,4,5-trimethyl-3-oxooxolan-2-yl](hydroxy)methyl}benzonitrile
Other name (1)：
  • 2-(α-Hydroxy-4-cyanobenzyl)-4,4,5-trimethyl-5-(2-chloroethoxy)-4,5-dihydrofuran-3(2H)-one
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