Chem
J-GLOBAL ID:200907050974612825   Nikkaji number:J861.541A

2-[2-(4-Oxo-4H-1-benzopyran-3-yl)ethenyl]-3-(4-fluorobenzyl)benzothiazolium

2-[2-(4-オキソ-4H-1-ベンゾピラン-3-イル)エテニル]-3-(4-フルオロベンジル)ベンゾチアゾリウム
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: C25H17F[N+]O2S
Molecular formula furigana: C25-H17-F-N-O2-S
Molecular weight: 414.470
InChI: InChI=1S/C25H17FNO2S/c26-19-12-9-17(10-13-19)15-27-21-6-2-4-8-23(21)30-24(27)14-11-18-16-29-22-7-3-1-5-20(22)25(18)28/h1-14,16H,15H2/q+1
InChI key: QNSCKROLRDLYLI-UHFFFAOYSA-N
SMILES: Fc1ccc(C[n+]2c(C=Cc3coc4ccccc4c3=O)sc3ccccc23)cc1
Systematic name  (3):
  • 2-[2-(4-オキソ-4H-1-ベンゾピラン-3-イル)エテニル]-3-(4-フルオロベンジル)ベンゾチアゾリウム
  • 3-[(4-フルオロフェニル)メチル]-2-[2-(4-オキソ-4H-クロメン-3-イル)エテニル]-1,3-ベンゾチアゾール-3-イウム
  • 3-[(4-fluorophenyl)methyl]-2-[2-(4-oxo-4H-chromen-3-yl)ethenyl]-1,3-benzothiazol-3-ium
Other name (1):
  • 2-[2-(4-Oxo-4H-1-benzopyran-3-yl)ethenyl]-3-(4-fluorobenzyl)benzothiazolium
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