Chem
J-GLOBAL ID:200907025136456264   Nikkaji number:J2.409.789G

[(2,5-Dihexylbenzene-1,4-diyl)bis[(ethyne-1,2-diyl)1,4-phenyleneoxycarbonyl(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3,1-diyloxy)]]radical

[(2,5-ジヘキシルベンゼン-1,4-ジイル)ビス[(エチン-1,2-ジイル)1,4-フェニレンオキシカルボニル(2,2,5,5-テトラメチル-2,5-ジヒドロ-1H-ピロール-3,1-ジイルオキシ)]]ラジカル
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: C52H62N2O6
Molecular formula furigana: C52-H62-N2-O6
Molecular weight: 811.076
InChI: InChI=1S/C52H62N2O6/c1-11-13-15-17-19-39-33-42(28-22-38-25-31-44(32-26-38)60-48(56)46-36-50(5,6)54(58)52(46,9)10)40(20-18-16-14-12-2)34-41(39)27-21-37-23-29-43(30-24-37)59-47(55)45-35-49(3,4)53(57)51(45,7)8/h23-26,29-36H,11-20H2,1-10H3
InChI key: ICJFTADFHGMUSK-UHFFFAOYSA-N
SMILES: CCCCCCc1cc(C#Cc2ccc(OC(=O)C3=CC(C)(C)N([O])C3(C)C)cc2)c(CCCCCC)cc1C#Cc1ccc(OC(=O)C2=CC(C)(C)N([O])C2(C)C)cc1
Systematic name  (2):
  • [[3,3′-[2,5-ジヘキシル-1,4-フェニレンビス(1,2-エチンジイル)ビス(1,4-フェニレンオキシカルボニル)]ビス(2,2,5,5-テトラメチル-3-ピロリン)]-1,1′-ジイルビスオキシ]ラジカル
  • [(2,5-ジヘキシルベンゼン-1,4-ジイル)ビス[(エチン-1,2-ジイル)1,4-フェニレンオキシカルボニル(2,2,5,5-テトラメチル-2,5-ジヒドロ-1H-ピロール-3,1-ジイルオキシ)]]ラジカル
Other name (2):
  • [[3,3′-[2,5-Dihexyl-1,4-phenylenebis(1,2-ethynediyl)bis(1,4-phenyleneoxycarbonyl)]bis(2,2,5,5-tetramethyl-3-pyrroline)]-1,1′-diylbisoxy]radical
  • [(2,5-Dihexylbenzene-1,4-diyl)bis[(ethyne-1,2-diyl)1,4-phenyleneoxycarbonyl(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3,1-diyloxy)]]radical
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