Chem
J-GLOBAL ID：200907016724710160   Nikkaji number：J1.398.396H

4-[2-Nitro-4-(phenylethynyl)phenylethynyl]benzenethiolate

4-[2-ニトロ-4-(フェニルエチニル)フェニルエチニル]ベンゼンチオラート
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： C22H12[N+]O[O-][S-]
Molecular formula furigana： C22-H12-N-O2-S
Molecular weight： 354.400
InChI： InChI=1S/C22H13NO2S/c24-23(25)22-16-19(7-6-17-4-2-1-3-5-17)9-13-20(22)12-8-18-10-14-21(26)15-11-18/h1-5,9-11,13-16,26H/p-1
InChI key： WWMYPHVTCWTXQD-UHFFFAOYSA-M
SMILES： [O-][N+](=O)c1cc(ccc1C#Cc1ccc([S-])cc1)C#Cc1ccccc1
Systematic name  (5)：
  • 4-[[4-(フェニルエチニル)-2-ニトロフェニル]エチニル]ベンゼンチオラート
  • 4-[2-ニトロ-4-(フェニルエチニル)フェニルエチニル]ベンゼンチオラート
  • 4-[[2-ニトロ-4-(フェニルエチニル)フェニル]エチニル]ベンゼンチオラート
  • (4-{2-[2-ニトロ-4-(2-フェニルエチニル)フェニル]エチニル}フェニル)スルファニド
  • (4-{2-[2-nitro-4-(2-phenylethynyl)phenyl]ethynyl}phenyl)sulfanide
Other name (3)：
  • 4-[[4-(Phenylethynyl)-2-nitrophenyl]ethynyl]benzenethiolate
  • 4-[2-Nitro-4-(phenylethynyl)phenylethynyl]benzenethiolate
  • 4-[[2-Nitro-4-(phenylethynyl)phenyl]ethynyl]benzenethiolate
Thsaurus map：
Thesaurus Map

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