Chem
J-GLOBAL ID：200907067240018869   Nikkaji number：J427.752J

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

[6-[[4-[シアノ(6-ホスホノ-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
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： C20H14N4O6P2
Molecular formula furigana： C20-H14-N4-O6-P2
Molecular weight： 468.302
InChI： InChI=1S/C20H14N4O6P2/c21-11-15(17-3-1-5-19(23-17)31(25,26)27)13-7-9-14(10-8-13)16(12-22)18-4-2-6-20(24-18)32(28,29)30/h1-10H,(H2,25,26,27)(H2,28,29,30)/b15-13-,16-14+
InChI key： QILVTFSVAIHVOH-VCFJNTAESA-N
SMILES： OP(=O)(O)c1cccc(n1)/C(=c\1/cc/c(=C(/C#N)\c2cccc(n2)P(=O)(O)O)/cc1)/C#N
Systematic name  (3)：
  • [6-[[4-[シアノ(6-ホスホノ-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
  • (6-{シアノ[(1E,4E)-4-[シアノ(6-ホスホノピリジン-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)ホスホン酸
  • (6-{cyano[(1E,4E)-4-[cyano(6-phosphonopyridin-2-yl)methylidene]cyclohexa-2,5-dien-1-ylidene]methyl}pyridin-2-yl)phosphonic acid
Other name (1)：
  • [6-[[4-[Cyano(6-phosphono-2-pyridinyl)methylene]-2,5-cyclohexadien-1-ylidene]cyanomethyl]pyridin-2-yl]phosphonic acid
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