Chem
J-GLOBAL ID:200907099452900706   Nikkaji number:J690.142E

4′-Decyloxybiphenyl-4-carboxylic acid [(1R)-1-[[(2R,3R)-3-butyl-5-oxotetrahydrofuran]-2-yl]-2,2,2-trifluoroethyl] ester

4′-デシルオキシビフェニル-4-カルボン酸[(1R)-1-[[(2R,3R)-3-ブチル-5-オキソテトラヒドロフラン]-2-イル]-2,2,2-トリフルオロエチル]
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: C33H43F3O5
Molecular formula furigana: C33-H43-F3-O5
Molecular weight: 576.697
InChI: InChI=1S/C33H43F3O5/c1-3-5-7-8-9-10-11-12-22-39-28-20-18-25(19-21-28)24-14-16-26(17-15-24)32(38)41-31(33(34,35)36)30-27(13-6-4-2)23-29(37)40-30/h14-21,27,30-31H,3-13,22-23H2,1-2H3/t27-,30-,31-/m1/s1
InChI key: VKZJHFKUEAHFMV-VEIFUORISA-N
SMILES: CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O[C@H]([C@@H]1OC(=O)C[C@H]1CCCC)C(F)(F)F
Systematic name  (3):
  • 4′-デシルオキシビフェニル-4-カルボン酸[(1R)-1-[[(2R,3R)-3-ブチル-5-オキソテトラヒドロフラン]-2-イル]-2,2,2-トリフルオロエチル]
  • (1R)-1-[(2R,3R)-3-ブチル-5-オキソオキソラン-2-イル]-2,2,2-トリフルオロエチル 4'-(デシルオキシ)-[1,1'-ビフェニル]-4-カルボキシラート
  • (1R)-1-[(2R,3R)-3-butyl-5-oxooxolan-2-yl]-2,2,2-trifluoroethyl 4'-(decyloxy)-[1,1'-biphenyl]-4-carboxylate
Other name (1):
  • 4′-Decyloxybiphenyl-4-carboxylic acid [(1R)-1-[[(2R,3R)-3-butyl-5-oxotetrahydrofuran]-2-yl]-2,2,2-trifluoroethyl] ester
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