Chem
J-GLOBAL ID：200907060735570121   Nikkaji number：J1.834.622B

(3R,4S)-3,4-Bis(4-fluorophenyl)adipic acid dimethyl ester

(3R,4S)-3,4-ビス(4-フルオロフェニル)アジピン酸ジメチル
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： C20H20F2O4
Molecular formula furigana： C20-H20-F2-O4
Molecular weight： 362.373
InChI： InChI=1S/C20H20F2O4/c1-25-19(23)11-17(13-3-7-15(21)8-4-13)18(12-20(24)26-2)14-5-9-16(22)10-6-14/h3-10,17-18H,11-12H2,1-2H3/t17-,18+
InChI key： WEJFROOBHKEHSE-HDICACEKSA-N
SMILES： COC(=O)C[C@@H]([C@@H](CC(=O)OC)c1ccc(F)cc1)c1ccc(F)cc1
Systematic name  (3)：
  • (3R,4S)-3,4-ビス(4-フルオロフェニル)アジピン酸ジメチル
  • 1,6-ジメチル (3R,4S)-3,4-ビス(4-フルオロフェニル)ヘキサンジオアート
  • 1,6-dimethyl (3R,4S)-3,4-bis(4-fluorophenyl)hexanedioate
Other name (1)：
  • (3R,4S)-3,4-Bis(4-fluorophenyl)adipic acid dimethyl ester
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