Chem
J-GLOBAL ID:200907049393362137   Nikkaji number:J1.528.953H

4-[2,5-Dinitro-4-(phenylethynyl)phenylethynyl]benzenethiol acetate

4-[2,5-ジニトロ-4-(フェニルエチニル)フェニルエチニル]ベンゼンチオールアセタート
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: C24H14[N+]2O3[O-]2S
Molecular formula furigana: C24-H14-N2-O5-S
Molecular weight: 442.450
InChI: InChI=1S/C24H14N2O5S/c1-17(27)32-22-13-9-19(10-14-22)8-12-21-16-23(25(28)29)20(15-24(21)26(30)31)11-7-18-5-3-2-4-6-18/h2-6,9-10,13-16H,1H3
InChI key: IJCPRUWEPVSHHO-UHFFFAOYSA-N
SMILES: CC(=O)Sc1ccc(cc1)C#Cc1cc(c(cc1[N+](=O)[O-])C#Cc1ccccc1)[N+](=O)[O-]
Systematic name  (5):
  • チオ酢酸S-[4-[[2,5-ジニトロ-4-(フェニルエチニル)フェニル]エチニル]フェニル]
  • 1-[4-(アセチルチオ)フェニルエチニル]-4-(フェニルエチニル)-2,5-ジニトロベンゼン
  • 4-[2,5-ジニトロ-4-(フェニルエチニル)フェニルエチニル]ベンゼンチオールアセタート
  • 1-[(4-{2-[2,5-ジニトロ-4-(2-フェニルエチニル)フェニル]エチニル}フェニル)スルファニル]エタン-1-オン
  • 1-[(4-{2-[2,5-dinitro-4-(2-phenylethynyl)phenyl]ethynyl}phenyl)sulfanyl]ethan-1-one
Other name (3):
  • Thioacetic acid S-[4-[[2,5-dinitro-4-(phenylethynyl)phenyl]ethynyl]phenyl] ester
  • 1-[4-(Acetylthio)phenylethynyl]-4-(phenylethynyl)-2,5-dinitrobenzene
  • 4-[2,5-Dinitro-4-(phenylethynyl)phenylethynyl]benzenethiol acetate
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