Chem
J-GLOBAL ID：201607007717651260   Nikkaji number：J3.480.312I

QBTT-Cl

2,2′-ジクロロ-6,6′-ビ(チエノ[3,4-b]チオフェン)-4,4′-ビス(2-シアノ酢酸オクチル)
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： C34H38Cl2N2O4S4
Molecular formula furigana： C34-H38-CL2-N2-O4-S4
Molecular weight： 737.830
InChI： InChI=1S/C34H38Cl2N2O4S4/c1-3-5-7-9-11-13-15-41-33(39)23(19-37)27-21-17-25(35)43-29(21)31(45-27)32-30-22(18-26(36)44-30)28(46-32)24(20-38)34(40)42-16-14-12-10-8-6-4-2/h17-18,23-24H,3-16H2,1-2H3
InChI key： LUXWFWDDIWXINS-UHFFFAOYSA-N
SMILES： CCCCCCCCOC(=O)C(C#N)c1sc(c2sc(C(C#N)C(=O)OCCCCCCCC)c3cc(Cl)sc23)c2sc(Cl)cc12
Systematic name  (3)：
  • 2,2′-ジクロロ-6,6′-ビ(チエノ[3,4-b]チオフェン)-4,4′-ビス(2-シアノ酢酸オクチル)
  • オクチル 2-(2-クロロ-6-{2-クロロ-4-[1-シアノ-2-(オクチルオキシ)-2-オキソエチル]チエノ[3,4-b]チオフェン-6-イル}チエノ[3,4-b]チオフェン-4-イル)-2-シアノアセタート
  • octyl 2-(2-chloro-6-{2-chloro-4-[1-cyano-2-(octyloxy)-2-oxoethyl]thieno[3,4-b]thiophen-6-yl}thieno[3,4-b]thiophen-4-yl)-2-cyanoacetate
Other name (2)：
  • 2,2′-Dichloro-6,6′-bi(thieno[3,4-b]thiophene)-4,4′-bis(2-cyanoacetic acid octyl) ester
  • QBTT-Cl
Thsaurus map：
Thesaurus Map

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