Chem
J-GLOBAL ID：200907071922701550   Nikkaji number：J1.984.398J

1-[2-(Phenylthio)ethoxythio]-2,4-dinitrobenzene

2,4-ジニトロベンゼンスルフェン酸2-(フェニルチオ)エチル
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： C14H12[N+]2O3[O-]2S2
Molecular formula furigana： C14-H12-N2-O5-S2
Molecular weight： 352.380
InChI： InChI=1S/C14H12N2O5S2/c17-15(18)11-6-7-14(13(10-11)16(19)20)23-21-8-9-22-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChI key： BCNABTDSVJPPDA-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccc(SOCCSc2ccccc2)c(c1)[N+](=O)[O-]
Systematic name  (4)：
  • 1-[2-(フェニルチオ)エトキシチオ]-2,4-ジニトロベンゼン
  • 2,4-ジニトロベンゼンスルフェン酸2-(フェニルチオ)エチル
  • 2,4-ジニトロ-1-{[2-(フェニルスルファニル)エトキシ]スルファニル}ベンゼン
  • 2,4-dinitro-1-{[2-(phenylsulfanyl)ethoxy]sulfanyl}benzene
Other name (2)：
  • 1-[2-(Phenylthio)ethoxythio]-2,4-dinitrobenzene
  • 2,4-DinitrobenzeneSulfenic acid 2-(phenylthio)ethyl ester
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