Chem
J-GLOBAL ID：200907005860842060   Nikkaji number：J968.568E

N,N,N-Trimethyl-6-[4′-[1-(dodecyloxycarbonyl)-4-oxo-4-(dodecyloxy)butylcarbamoyl]azobenzene-4-yloxy]hexane-1-aminium

N,N,N-トリメチル-6-[4′-[1-(ドデシルオキシカルボニル)-4-オキソ-4-(ドデシルオキシ)ブチルカルバモイル]アゾベンゼン-4-イルオキシ]ヘキサン-1-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： C51H85N3[N+]O6
Molecular formula furigana： C51-H85-N4-O6
Molecular weight： 850.262
InChI： InChI=1S/C51H84N4O6/c1-6-8-10-12-14-16-18-20-23-28-42-60-49(56)39-38-48(51(58)61-43-29-24-21-19-17-15-13-11-9-7-2)52-50(57)44-30-32-45(33-31-44)53-54-46-34-36-47(37-35-46)59-41-27-25-22-26-40-55(3,4)5/h30-37,48H,6-29,38-43H2,1-5H3/p+1
InChI key： GJJGAHDQLXXGHA-UHFFFAOYSA-O
SMILES： CCCCCCCCCCCCOC(=O)CCC(NC(=O)c1ccc(cc1)N=Nc1ccc(OCCCCCC[N+](C)(C)C)cc1)C(=O)OCCCCCCCCCCCC
Systematic name  (3)：
  • N,N,N-トリメチル-6-[4′-[1-(ドデシルオキシカルボニル)-4-オキソ-4-(ドデシルオキシ)ブチルカルバモイル]アゾベンゼン-4-イルオキシ]ヘキサン-1-アミニウム
  • (6-{4-[2-(4-{[1,5-ビス(ドデシルオキシ)-1,5-ジオキソペンタン-2-イル]カルバモイル}フェニル)ジアゼン-1-イル]フェノキシ}ヘキシル)トリメチルアザニウム
  • (6-{4-[2-(4-{[1,5-bis(dodecyloxy)-1,5-dioxopentan-2-yl]carbamoyl}phenyl)diazen-1-yl]phenoxy}hexyl)trimethylazanium
Other name (1)：
  • N,N,N-Trimethyl-6-[4′-[1-(dodecyloxycarbonyl)-4-oxo-4-(dodecyloxy)butylcarbamoyl]azobenzene-4-yloxy]hexane-1-aminium
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