Chem
J-GLOBAL ID:200907049605219992   Nikkaji number:J1.251.096I

3,3′,4′,5,7-Pentamethoxyflavylium

3,3′,4′,5,7-ペンタメトキシフラビリウム
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: C20H21O5[O+]
Molecular formula furigana: C20-H21-O6
Molecular weight: 357.381
InChI: InChI=1S/C20H21O6/c1-21-13-9-16(23-3)14-11-19(25-5)20(26-17(14)10-13)12-6-7-15(22-2)18(8-12)24-4/h6-11H,1-5H3/q+1
InChI key: FTFMWSINTAADNU-UHFFFAOYSA-N
SMILES: COc1cc(OC)c2cc(OC)c([o+]c2c1)c1ccc(OC)c(OC)c1
Systematic name  (5):
  • 3,3′,4′,5,7-ペンタメトキシフラビリウム
  • 3,5,7-トリメトキシ-2-(3,4-ジメトキシフェニル)-1-ベンゾピリリウム
  • 2-(3,4-ジメトキシフェニル)-3,5,7-トリメトキシ-1-ベンゾピリリウム
  • 2-(3,4-ジメトキシフェニル)-3,5,7-トリメトキシ-1λ4-クロメン-1-イリウム
  • 2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-1λ4-chromen-1-ylium
Other name (3):
  • 3,3′,4′,5,7-Pentamethoxyflavylium
  • 3,5,7-Trimethoxy-2-(3,4-dimethoxyphenyl)-1-benzopyrylium
  • 2-(3,4-Dimethoxyphenyl)-3,5,7-trimethoxy-1-benzopyrylium
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