Chem
J-GLOBAL ID：200907044321076944   Nikkaji number：J767.092C

Carbonylbis(p-phenylenecarbonyl)bis[[(1-methyl-4H-1,2,4-triazol-1-ium)-4-yl]amine anion]

カルボニルビス(p-フェニレンカルボニル)ビス[[(1-メチル-4H-1,2,4-トリアゾール-1-イウム)-4-イル]アミンアニオン]
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： C21H18N4[N-]2[N+]2O3
Molecular formula furigana： C21-H18-N8-O3
Molecular weight： 430.428
InChI： InChI=1S/C21H18N8O3/c1-26-13-28(11-22-26)24-20(31)17-7-3-15(4-8-17)19(30)16-5-9-18(10-6-16)21(32)25-29-12-23-27(2)14-29/h3-14H,1-2H3
InChI key： MWDRTZGZPXTYKA-UHFFFAOYSA-N
SMILES： C[n+]1cn([N-]C(=O)c2ccc(cc2)C(=O)c2ccc(cc2)C(=O)[N-]n2cn[n+](C)c2)cn1
Systematic name  (3)：
  • カルボニルビス(p-フェニレンカルボニル)ビス[[(1-メチル-4H-1,2,4-トリアゾール-1-イウム)-4-イル]アミンアニオン]
  • 1-メチル-4-{[4-(4-{[(1-メチル-4H-1,2,4-トリアゾール-1-イウム-4-イル)アザニジル]カルボニル}ベンゾイル)ベンゾイル]アザニジル}-4H-1,2,4-トリアゾール-1-イウム
  • 1-methyl-4-{[4-(4-{[(1-methyl-4H-1,2,4-triazol-1-ium-4-yl)azanidyl]carbonyl}benzoyl)benzoyl]azanidyl}-4H-1,2,4-triazol-1-ium
Other name (1)：
  • Carbonylbis(p-phenylenecarbonyl)bis[[(1-methyl-4H-1,2,4-triazol-1-ium)-4-yl]amine anion]
Thsaurus map：
Thesaurus Map

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