Chem
J-GLOBAL ID:200907050103038402   Nikkaji number:J1.984.418H

2-(4-Ethylphenylethynyl)-5-nitrophenylphosphonic acid ethyl ester

2-(4-エチルフェニルエチニル)-5-ニトロフェニルホスホン酸エチル
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: C18H18[N+]O4[O-]P
Molecular formula furigana: C18-H18-N-O5-P
Molecular weight: 359.318
InChI: InChI=1S/C18H18NO5P/c1-3-14-5-7-15(8-6-14)9-10-16-11-12-17(19(20)21)13-18(16)25(22,23)24-4-2/h5-8,11-13H,3-4H2,1-2H3,(H,22,23)
InChI key: GDPPQBBLRCLYHX-UHFFFAOYSA-N
SMILES: CCOP(=O)(O)c1cc(ccc1C#Cc1ccc(CC)cc1)[N+](=O)[O-]
Systematic name  (3):
  • 2-(4-エチルフェニルエチニル)-5-ニトロフェニルホスホン酸エチル
  • エトキシ({2-[2-(4-エチルフェニル)エチニル]-5-ニトロフェニル})ホスフィン酸
  • ethoxy({2-[2-(4-ethylphenyl)ethynyl]-5-nitrophenyl})phosphinic acid
Other name (1):
  • 2-(4-Ethylphenylethynyl)-5-nitrophenylphosphonic acid ethyl ester
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