Chem
J-GLOBAL ID:201107043578669140   Nikkaji number:J2.946.030B

3′′′-(Trifluoromethylsulfonyloxy)-1,1′:4′,1′′:4′′,1′′′-quaterbenzene-3-carboxylic acid methyl ester

3′′′-(トリフルオロメチルスルホニルオキシ)-1,1′:4′,1′′:4′′,1′′′-クアテルベンゼン-3-カルボン酸メチル
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: C27H19F3O5S
Molecular formula furigana: C27-H19-F3-O5-S
Molecular weight: 512.500
InChI: InChI=1S/C27H19F3O5S/c1-34-26(31)24-6-2-4-22(16-24)20-12-8-18(9-13-20)19-10-14-21(15-11-19)23-5-3-7-25(17-23)35-36(32,33)27(28,29)30/h2-17H,1H3
InChI key: WOCYNTFAESGFTG-UHFFFAOYSA-N
SMILES: COC(=O)c1cccc(c1)c1ccc(cc1)c1ccc(cc1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
Systematic name  (3):
  • 3′′′-(トリフルオロメチルスルホニルオキシ)-1,1′:4′,1′′:4′′,1′′′-クアテルベンゼン-3-カルボン酸メチル
  • メチル 4'-[3'-(トリフルオロメタンスルホニルオキシ)-[1,1'-ビフェニル]-4-イル]-[1,1'-ビフェニル]-3-カルボキシラート
  • methyl 4'-[3'-(trifluoromethanesulfonyloxy)-[1,1'-biphenyl]-4-yl]-[1,1'-biphenyl]-3-carboxylate
Other name (1):
  • 3′′′-(Trifluoromethylsulfonyloxy)-1,1′:4′,1′′:4′′,1′′′-quaterbenzene-3-carboxylic acid methyl ester
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