Chem
J-GLOBAL ID:200907018326169257   Nikkaji number:J330.145A

N,N′-[4,4′-Biphenylylenebis(2-oxo-2,1-ethanediyl)]bis(N,N-dimethyl-2-cyano-2-hydroxycyclohexanemethanaminium)

N,N′-[4,4′-ビフェニリレンビス(2-オキソ-2,1-エタンジイル)]ビス(N,N-ジメチル-2-シアノ-2-ヒドロキシシクロヘキサンメタンアミニウム)
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: C36H48N2[N+]2O4
Molecular formula furigana: C36-H48-N4-O4
Molecular weight: 600.803
InChI: InChI=1S/C36H48N4O4/c1-39(2,21-31-9-5-7-19-35(31,43)25-37)23-33(41)29-15-11-27(12-16-29)28-13-17-30(18-14-28)34(42)24-40(3,4)22-32-10-6-8-20-36(32,44)26-38/h11-18,31-32,43-44H,5-10,19-24H2,1-4H3/q+2
InChI key: OCXIOQSBBBMYLN-UHFFFAOYSA-N
SMILES: C[N+](C)(CC1CCCCC1(O)C#N)CC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCCCC1(O)C#N
Systematic name  (3):
  • N,N′-[4,4′-ビフェニリレンビス(2-オキソ-2,1-エタンジイル)]ビス(N,N-ジメチル-2-シアノ-2-ヒドロキシシクロヘキサンメタンアミニウム)
  • [(2-シアノ-2-ヒドロキシシクロヘキシル)メチル]({2-[4'-(2-{[(2-シアノ-2-ヒドロキシシクロヘキシル)メチル]ジメチルアザニウミル}アセチル)-[1,1'-ビフェニル]-4-イル]-2-オキソエチル})ジメチルアザニウム
  • [(2-cyano-2-hydroxycyclohexyl)methyl]({2-[4'-(2-{[(2-cyano-2-hydroxycyclohexyl)methyl]dimethylazaniumyl}acetyl)-[1,1'-biphenyl]-4-yl]-2-oxoethyl})dimethylazanium
Other name (1):
  • N,N′-[4,4′-Biphenylylenebis(2-oxo-2,1-ethanediyl)]bis(N,N-dimethyl-2-cyano-2-hydroxycyclohexanemethanaminium)
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