Chem
J-GLOBAL ID:200907004102199710   Nikkaji number:J1.655.359J

4′,4′′′-[[3-(Hydroxymethyl)benzene-1,5-diyl]bis(oxyhexamethyleneoxy)]bis(azobenzene-4-carboxylic acid ethyl) ester

4′,4′′′-[[3-(ヒドロキシメチル)ベンゼン-1,5-ジイル]ビス(オキシヘキサメチレンオキシ)]ビス(アゾベンゼン-4-カルボン酸エチル)
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: C49H56N4O9
Molecular formula furigana: C49-H56-N4-O9
Molecular weight: 845.006
InChI: InChI=1S/C49H56N4O9/c1-3-57-48(55)38-13-17-40(18-14-38)50-52-42-21-25-44(26-22-42)59-29-9-5-7-11-31-61-46-33-37(36-54)34-47(35-46)62-32-12-8-6-10-30-60-45-27-23-43(24-28-45)53-51-41-19-15-39(16-20-41)49(56)58-4-2/h13-28,33-35,54H,3-12,29-32,36H2,1-2H3
InChI key: DQOPEAYWBSDADE-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)N=Nc1ccc(OCCCCCCOc2cc(CO)cc(OCCCCCCOc3ccc(cc3)N=Nc3ccc(cc3)C(=O)OCC)c2)cc1
Systematic name  (3):
  • 4′,4′′′-[[3-(ヒドロキシメチル)ベンゼン-1,5-ジイル]ビス(オキシヘキサメチレンオキシ)]ビス(アゾベンゼン-4-カルボン酸エチル)
  • エチル 4-[2-(4-{[6-(3-{[6-(4-{2-[4-(エトキシカルボニル)フェニル]ジアゼン-1-イル}フェノキシ)ヘキシル]オキシ}-5-(ヒドロキシメチル)フェノキシ)ヘキシル]オキシ}フェニル)ジアゼン-1-イル]ベンゾアート
  • ethyl 4-[2-(4-{[6-(3-{[6-(4-{2-[4-(ethoxycarbonyl)phenyl]diazen-1-yl}phenoxy)hexyl]oxy}-5-(hydroxymethyl)phenoxy)hexyl]oxy}phenyl)diazen-1-yl]benzoate
Other name (1):
  • 4′,4′′′-[[3-(Hydroxymethyl)benzene-1,5-diyl]bis(oxyhexamethyleneoxy)]bis(azobenzene-4-carboxylic acid ethyl) ester
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