Chem
J-GLOBAL ID:200907049048241467   Nikkaji number:J1.433.360F

2-Bromo-3′-(methylphenylsulfonio)-4,4′-dinitrobiphenyl-2′-olate

2-ブロモ-3′-(メチルフェニルスルホニオ)-4,4′-ジニトロビフェニル-2′-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: C19H13Br[N+]2O2[O-]3[S+]
Molecular formula furigana: C19-H13-BR-N2-O5-S
Molecular weight: 461.290
InChI: InChI=1S/C19H13BrN2O5S/c1-28(13-5-3-2-4-6-13)19-17(22(26)27)10-9-15(18(19)23)14-8-7-12(21(24)25)11-16(14)20/h2-11H,1H3
InChI key: WXSSVQZVIQSCCA-UHFFFAOYSA-N
SMILES: C[S+](c1ccccc1)c1c([O-])c(ccc1[N+](=O)[O-])c1ccc(cc1Br)[N+](=O)[O-]
Systematic name  (3):
  • 2-ブロモ-3′-(メチルフェニルスルホニオ)-4,4′-ジニトロビフェニル-2′-オラート
  • {2'-ブロモ-4,4'-ジニトロ-2-オキシド-[1,1'-ビフェニル]-3-イル}(メチル)フェニルスルファニウム
  • {2'-bromo-4,4'-dinitro-2-oxido-[1,1'-biphenyl]-3-yl}(methyl)phenylsulfanium
Other name (1):
  • 2-Bromo-3′-(methylphenylsulfonio)-4,4′-dinitrobiphenyl-2′-olate
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