Chem
J-GLOBAL ID：200907058696902354   Nikkaji number：J427.751A

[6-[[4-[Cyano[6-(diethoxyphosphinyl)-2-pyridinyl]methylene]-2,5-cyclohexadien-1-ylidene]cyanomethyl]pyridin-2-yl]phosphonic acid diethyl ester

[6-[[4-[シアノ[6-(ジエトキシホスフィニル)-2-ピリジニル]メチレン]-2,5-シクロヘキサジエン-1-イリデン]シアノメチル]ピリジン-2-イル]ホスホン酸ジエチル
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： C28H30N4O6P2
Molecular formula furigana： C28-H30-N4-O6-P2
Molecular weight： 580.518
InChI： InChI=1S/C28H30N4O6P2/c1-5-35-39(33,36-6-2)27-13-9-11-25(31-27)23(19-29)21-15-17-22(18-16-21)24(20-30)26-12-10-14-28(32-26)40(34,37-7-3)38-8-4/h9-18H,5-8H2,1-4H3/b23-21-,24-22+
InChI key： PQBXXSCKULDNKC-MMUCEYJRSA-N
SMILES： CCOP(=O)(OCC)c1cccc(n1)/C(=c\1/cc/c(=C(/C#N)\c2cccc(n2)P(=O)(OCC)OCC)/cc1)/C#N
Systematic name  (3)：
  • [6-[[4-[シアノ[6-(ジエトキシホスフィニル)-2-ピリジニル]メチレン]-2,5-シクロヘキサジエン-1-イリデン]シアノメチル]ピリジン-2-イル]ホスホン酸ジエチル
  • ジエチル (6-{シアノ[(1E,4E)-4-{シアノ[6-(ジエトキシホスホリル)ピリジン-2-イル]メチリデン}シクロヘキサ-2,5-ジエン-1-イリデン]メチル}ピリジン-2-イル)ホスホナート
  • diethyl (6-{cyano[(1E,4E)-4-{cyano[6-(diethoxyphosphoryl)pyridin-2-yl]methylidene}cyclohexa-2,5-dien-1-ylidene]methyl}pyridin-2-yl)phosphonate
Other name (1)：
  • [6-[[4-[Cyano[6-(diethoxyphosphinyl)-2-pyridinyl]methylene]-2,5-cyclohexadien-1-ylidene]cyanomethyl]pyridin-2-yl]phosphonic acid diethyl ester
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