Chem
J-GLOBAL ID：200907033165988740   Nikkaji number：J462.982E

Benzoic acid (S)-2-(2-methoxy-2-phenyl-3,3,3-trifluoropropionyloxy)butyl ester

安息香酸(S)-2-(2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニルオキシ)ブチル
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： C21H21F3O5
Molecular formula furigana： C21-H21-F3-O5
Molecular weight： 410.389
InChI： InChI=1S/C21H21F3O5/c1-3-17(14-28-18(25)15-10-6-4-7-11-15)29-19(26)20(27-2,21(22,23)24)16-12-8-5-9-13-16/h4-13,17H,3,14H2,1-2H3/t17-,20?/m0/s1
InChI key： CWHSUXGJVRJSDK-DIMJTDRSSA-N
SMILES： CC[C@@H](COC(=O)c1ccccc1)OC(=O)C(OC)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • 安息香酸(S)-2-(2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオニルオキシ)ブチル
  • (2S)-1-(ベンゾイルオキシ)ブタン-2-イル 3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
  • (2S)-1-(benzoyloxy)butan-2-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • Benzoic acid (S)-2-(2-methoxy-2-phenyl-3,3,3-trifluoropropionyloxy)butyl ester
Thsaurus map：
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