Chem
J-GLOBAL ID：201107012631297761   Nikkaji number：J2.946.036A

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

メチル 3-{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]-3-イル]-[1,1'-ビフェニル]-4-イル}ベンゾアート
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： C33H23F3O5S
Molecular formula furigana： C33-H23-F3-O5-S
Molecular weight： 588.600
InChI： InChI=1S/C33H23F3O5S/c1-40-32(37)30-9-3-6-27(20-30)25-17-13-23(14-18-25)22-11-15-24(16-12-22)26-5-2-7-28(19-26)29-8-4-10-31(21-29)41-42(38,39)33(34,35)36/h2-21H,1H3
InChI key： ZMKUPGFXRIGEQI-UHFFFAOYSA-N
SMILES： COC(=O)c1cccc(c1)c1ccc(cc1)c1ccc(cc1)c1cccc(c1)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′′′:3′′′,1′′′′-キンクエベンゼン-3-カルボン酸メチル
  • メチル 3-{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]-3-イル]-[1,1'-ビフェニル]-4-イル}ベンゾアート
  • methyl 3-{4'-[3'-(trifluoromethanesulfonyloxy)-[1,1'-biphenyl]-3-yl]-[1,1'-biphenyl]-4-yl}benzoate
Other name (1)：
  • 3′′′′-(Trifluoromethylsulfonyloxy)-1,1′:4′,1′′:4′′,1′′′:3′′′,1′′′′-quinquebenzene-3-carboxylic acid methyl ester
Thsaurus map：
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