Chem
J-GLOBAL ID:200907051709918307   Nikkaji number:J2.428.932J

4-(3-Oxobutyl)-6′′,6′′′-dimethoxy-4′′′′-methyl-1,1′:4′,1′′:3′′,1′′′:3′′′,1′′′′-quinquebenzene

4-(3-オキソブチル)-6′′,6′′′-ジメトキシ-4′′′′-メチル-1,1′:4′,1′′:3′′,1′′′:3′′′,1′′′′-キンクエベンゼン
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: C37H34O3
Molecular formula furigana: C37-H34-O3
Molecular weight: 526.676
InChI: InChI=1S/C37H34O3/c1-25-5-11-30(12-6-25)32-19-21-37(40-4)35(23-32)33-20-22-36(39-3)34(24-33)31-17-15-29(16-18-31)28-13-9-27(10-14-28)8-7-26(2)38/h5-6,9-24H,7-8H2,1-4H3
InChI key: PARADAXCAOFHJS-UHFFFAOYSA-N
SMILES: COc1ccc(cc1c1ccc(cc1)c1ccc(CCC(=O)C)cc1)c1cc(ccc1OC)c1ccc(C)cc1
Systematic name  (3):
  • 4-(3-オキソブチル)-6′′,6′′′-ジメトキシ-4′′′′-メチル-1,1′:4′,1′′:3′′,1′′′:3′′′,1′′′′-キンクエベンゼン
  • 4-[4'-(2-メトキシ-5-{4-メトキシ-4'-メチル-[1,1'-ビフェニル]-3-イル}フェニル)-[1,1'-ビフェニル]-4-イル]ブタン-2-オン
  • 4-[4'-(2-methoxy-5-{4-methoxy-4'-methyl-[1,1'-biphenyl]-3-yl}phenyl)-[1,1'-biphenyl]-4-yl]butan-2-one
Other name (1):
  • 4-(3-Oxobutyl)-6′′,6′′′-dimethoxy-4′′′′-methyl-1,1′:4′,1′′:3′′,1′′′:3′′′,1′′′′-quinquebenzene
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