Chem
J-GLOBAL ID：200907023484195676   Nikkaji number：J462.983C

Benzoic acid (S)-2-(2-methoxy-2-phenyl-3,3,3-trifluoropropionyloxy)pentyl 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)ペンチル
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： C22H23F3O5
Molecular formula furigana： C22-H23-F3-O5
Molecular weight： 424.416
InChI： InChI=1S/C22H23F3O5/c1-3-10-18(15-29-19(26)16-11-6-4-7-12-16)30-20(27)21(28-2,22(23,24)25)17-13-8-5-9-14-17/h4-9,11-14,18H,3,10,15H2,1-2H3/t18-,21?/m0/s1
InChI key： XTILZAQKCJRJHE-YMXDCFFPSA-N
SMILES： CCC[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)ペンチル
  • (2S)-1-(ベンゾイルオキシ)ペンタン-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)pentan-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)pentyl ester
Thsaurus map：
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