Chem
J-GLOBAL ID：200907092346483280   Nikkaji number：J1.721.364D

9-(3-Bromo-2,6-dimethoxyphenyl)-9H-thioxanthene-9-ylium

9-(3-ブロモ-2,6-ジメトキシフェニル)-9H-チオキサンテン-9-イリウム
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： C20[C+]H16BrO2S
Molecular formula furigana： C21-H16-BR-O2-S
Molecular weight： 412.320
InChI： InChI=1S/C21H16BrO2S/c1-23-16-12-11-15(22)21(24-2)20(16)19-13-7-3-5-9-17(13)25-18-10-6-4-8-14(18)19/h3-12H,1-2H3/q+1
InChI key： PWBBTFXVUGYPEK-UHFFFAOYSA-N
SMILES： COc1ccc(Br)c(OC)c1[C+]1c2ccccc2Sc2ccccc12
Systematic name  (2)：
  • 9-(3-ブロモ-2,6-ジメトキシフェニル)-9H-チオキサンテン-9-イリウム
  • 9-(3-bromo-2,6-dimethoxyphenyl)-9H-thioxanthen-9-ylium
Other name (1)：
  • 9-(3-Bromo-2,6-dimethoxyphenyl)-9H-thioxanthene-9-ylium
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