6-溴-4,4-二己基-4H-噻咯并[3,2-b:4,5-b']二噻吩-2-甲醛结构式

6-溴-4,4-二己基-4H-噻咯并[3,2-b:4,5-b']二噻吩-2-甲醛
中文名称:6-溴-4,4-二己基-4H-噻咯并[3,2-b:4,5-b']二噻吩-2-甲醛
英文名称:6-Bromo-4,4-dihexyl-4H-silolo[3,2-b:4,5-b']dithiophene-2-carbaldehyde
CAS No.:1192035-50-9
分子式:C21H29BrOS2Si 分子量:469.57
6-溴-4,4-二己基-4H-噻咯并[3,2-b:4,5-b']二噻吩-2-甲醛 数据
Mol:
  1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    1.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    1.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5320   -1.7190    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  1  5  1  0      
  6  7  2  0      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
  6 10  1  0      
 11  2  1  0      
  1  6  1  0      
 11  7  1  0      
 12 13  2  0      
  4 12  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 11 14  1  0      
 20 21  1  0      
 21 22  1  0      
 22 23  1  0      
 23 24  1  0      
 24 25  1  0      
 11 20  1  0      
  9 26  1  0      
M  END                                
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6-溴-4,4-二己基-4H-噻咯并[3,2-b:4,5-b']二噻吩-2-甲醛 Smile 编码:
C12C3SC(Br)=CC=3[Si](CCCCCC)(CCCCCC)C=1C=C(C=O)S2
6-溴-4,4-二己基-4H-噻咯并[3,2-b:4,5-b']二噻吩-2-甲醛 InChi 编码:
1S/C21H29BrOS2Si/c1-3-5-7-9-11-26(12-10-8-6-4-2)17-13-16(15-23)24-20(17)21-18(26)14-19(22)25-21/h13-15H,3-12H2,1-2H3
6-溴-4,4-二己基-4H-噻咯并[3,2-b:4,5-b']二噻吩-2-甲醛 InChiKey 编码:
PGVFNYURLJVBFX-UHFFFAOYSA-N