Chem
J-GLOBAL ID：200907005324761332   Nikkaji number：J1.575.124J

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

(2Z,4Z)-2,4-ヘキサジエン二酸ビス[(3-メチルベンジル)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： C22H28[N+]2O4
Molecular formula furigana： C22-H28-N2-O4
Molecular weight： 384.475
InChI： InChI=1S/C22H22N2O4/c1-17-7-5-9-19(13-17)15-23-27-21(25)11-3-4-12-22(26)28-24-16-20-10-6-8-18(2)14-20/h3-14H,15-16H2,1-2H3/q+2/b11-3-,12-4-
InChI key： GYGYGLAZMUKUJO-LPPGRIHKSA-N
SMILES： Cc1cccc(C[N+]OC(=O)/C=C\C=C/C(=O)O[N+]Cc2cccc(C)c2)c1
Systematic name  (3)：
  • (2Z,4Z)-2,4-ヘキサジエン二酸ビス[(3-メチルベンジル)アンモニウム]
  • [(3-メチルフェニル)メチル]({[(2Z,4Z)-6-({[(3-メチルフェニル)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-methylphenyl)methyl]({[(2Z,4Z)-6-({[(3-methylphenyl)methyl]azaniumyl}oxy)-6-oxohexa-2,4-dienoyl]oxy})azanium
Other name (1)：
  • (2Z,4Z)-2,4-Hexadienedioic acid bis[(3-methylbenzyl) ammonium]
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