Chem
J-GLOBAL ID:200907051885827580
Nikkaji number:J1.575.122C
(2Z,4Z)-2,4-Hexadienedioic acid bis[(2-chlorobenzyl) ammonium]
(2Z,4Z)-2,4-ヘキサジエン二酸ビス[(2-クロロベンジル)アンモニウム]
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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:
C20 H22 Cl2 [N+]2 O4
Molecular formula furigana:
C20-H22-CL2-N2-O4
Molecular weight:
425.300
InChI:
InChI=1S/C20H16Cl2N2O4/c21-17-9-3-1-7-15(17)13-23-27-19(25)11-5-6-12-20(26)28-24-14-16-8-2-4-10-18(16)22/h1-12H,13-14H2/q+2/b11-5-,12-6-
InChI key:
VSFPNPVHEZXUHL-CBIKUMSCSA-N
SMILES:
Clc1ccccc1C[N+]OC(=O)/C=C\C=C/C(=O)O[N+]Cc1ccccc1Cl
Systematic name (3):
(2Z,4Z)-2,4-ヘキサジエン二酸ビス[(2-クロロベンジル)アンモニウム]
[(2-クロロフェニル)メチル]({[(2Z,4Z)-6-({[(2-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
[(2-chlorophenyl)methyl]({[(2Z,4Z)-6-({[(2-chlorophenyl)methyl]azaniumyl}oxy)-6-oxohexa-2,4-dienoyl]oxy})azanium
Other name (1):
(2Z,4Z)-2,4-Hexadienedioic acid bis[(2-chlorobenzyl) ammonium]
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