Chem
J-GLOBAL ID:200907082750524954   Nikkaji number:J1.565.066D

[[[2,2′-[13,13,14,14,15,15-Hexafluoro-11aα,11bβ-dimethyl-11a,11b-dihydro-5,6-propanobenzo[2,1-b:3,4-b′]bis[1]benzothiophene-2,9-diylbis(thiophene-2,5-diyl)]bis(4,4,5,5-tetramethyl-1H-imidazole 3-oxide)]-1,1′-diyl]bisoxy]radical

[[[2,2′-[13,13,14,14,15,15-ヘキサフルオロ-11aα,11bβ-ジメチル-11a,11b-ジヒドロ-5,6-プロパノベンゾ[2,1-b:3,4-b′]ビス[1]ベンゾチオフェン-2,9-ジイルビス(チオフェン-2,5-ジイル)]ビス(4,4,5,5-テトラメチル-1H-イミダゾール3-オキシド)]-1,1′-ジイル]ビスオキシ]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: C45H40F6N2[N+]2O2[O-]2S4
Molecular formula furigana: C45-H40-F6-N4-O4-S4
Molecular weight: 943.070
InChI: InChI=1S/C45H40F6N4O4S4/c1-37(2)38(3,4)53(57)35(52(37)56)27-17-15-25(60-27)21-11-13-23-29(19-21)62-41(9)31(23)33-34(44(48,49)45(50,51)43(33,46)47)32-24-14-12-22(20-30(24)63-42(32,41)10)26-16-18-28(61-26)36-54(58)39(5,6)40(7,8)55(36)59/h11-20H,1-10H3/t41-,42-/m1/s1
InChI key: GIOIWPJYVCPIDE-NCRNUEESSA-N
SMILES: CC1(C)N([O])C(=[N+]([O-])C1(C)C)c1ccc(s1)c1ccc2C3=C4C(=C5c6ccc(cc6S[C@@]5(C)[C@]3(C)Sc2c1)c1ccc(s1)C1=[N+]([O-])C(C)(C)C(C)(C)N1[O])C(F)(F)C(F)(F)C4(F)F
Systematic name  (2):
  • [[[2,2′-[13,13,14,14,15,15-ヘキサフルオロ-11aα,11bβ-ジメチル-11a,11b-ジヒドロ-5,6-プロパノベンゾ[2,1-b:3,4-b′]ビス[1]ベンゾチオフェン-2,9-ジイルビス(チオフェン-2,5-ジイル)]ビス(4,4,5,5-テトラメチル-1H-イミダゾール3-オキシド)]-1,1′-ジイル]ビスオキシ]ラジカル
  • [[[[2,2′-[[(11aR)-11aα,11bβ-ジメチル-13,13,14,14,15,15-ヘキサフルオロ-11a,11b-ジヒドロ-5,6-プロパノベンゾ[2,1-b:3,4-b′]ビス[1]ベンゾチオフェン-2,9-ジイル]ビス(5,2-チオフェンジイル)]ビス(4,4,5,5-テトラメチル-2-イミダゾリン3-オキシド)]-1,1′-ジイル]ビスオキシ]ラジカル]
Other name (2):
  • [[[2,2′-[13,13,14,14,15,15-Hexafluoro-11aα,11bβ-dimethyl-11a,11b-dihydro-5,6-propanobenzo[2,1-b:3,4-b′]bis[1]benzothiophene-2,9-diylbis(thiophene-2,5-diyl)]bis(4,4,5,5-tetramethyl-1H-imidazole 3-oxide)]-1,1′-diyl]bisoxy]radical
  • [[[[2,2′-[[(11aR)-11aα,11bβ-Dimethyl-13,13,14,14,15,15-hexafluoro-11a,11b-dihydro-5,6-propanobenzo[2,1-b:3,4-b′]bis[1]benzothiophene-2,9-diyl]bis(5,2-thiophenediyl)]bis(4,4,5,5-tetramethyl-2-imidazoline 3-oxide)]-1,1′-diyl]bisoxy]radical]
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