Chem
J-GLOBAL ID：200907086019416382   Nikkaji number：J1.575.123A

(2Z,4Z)-2,4-Hexadienedioic acid bis[(3,4-dichlorobenzyl) ammonium]

(2Z,4Z)-2,4-ヘキサジエン二酸ビス[(3,4-ジクロロベンジル)アンモニウム]
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： C20H20Cl4[N+]2O4
Molecular formula furigana： C20-H20-CL4-N2-O4
Molecular weight： 494.190
InChI： InChI=1S/C20H14Cl4N2O4/c21-15-7-5-13(9-17(15)23)11-25-29-19(27)3-1-2-4-20(28)30-26-12-14-6-8-16(22)18(24)10-14/h1-10H,11-12H2/q+2/b3-1-,4-2-
InChI key： DALAYTLNLDURKB-CCAGOZQPSA-N
SMILES： Clc1ccc(C[N+]OC(=O)/C=C\C=C/C(=O)O[N+]Cc2ccc(Cl)c(Cl)c2)cc1Cl
Systematic name  (3)：
  • (2Z,4Z)-2,4-ヘキサジエン二酸ビス[(3,4-ジクロロベンジル)アンモニウム]
  • [(3,4-ジクロロフェニル)メチル]({[(2Z,4Z)-6-({[(3,4-ジクロロフェニル)メチル]アザニウミル}オキシ)-6-オキソヘキサ-2,4-ジエノイル]オキシ})アザニウム
  • [(3,4-dichlorophenyl)methyl]({[(2Z,4Z)-6-({[(3,4-dichlorophenyl)methyl]azaniumyl}oxy)-6-oxohexa-2,4-dienoyl]oxy})azanium
Other name (1)：
  • (2Z,4Z)-2,4-Hexadienedioic acid bis[(3,4-dichlorobenzyl) ammonium]
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