(4,8-双(4-氯-5-(2-己基癸基)噻吩-2-基)苯并[1,2-b:4,5-b']二噻吩-2,6-二基)双(三甲基锡)结构式

(4,8-双(4-氯-5-(2-己基癸基)噻吩-2-基)苯并[1,2-b:4,5-b']二噻吩-2,6-二基)双(三甲基锡)
中文名称:(4,8-双(4-氯-5-(2-己基癸基)噻吩-2-基)苯并[1,2-b:4,5-b']二噻吩-2,6-二基)双(三甲基锡)
英文名称:(4,8-Bis(4-chloro-5-(2-hexyldecyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane)
CAS No.:2648593-44-4
分子式:C56H88Cl2S4Sn2 分子量:1197.88
(4,8-双(4-氯-5-(2-己基癸基)噻吩-2-基)苯并[1,2-b:4,5-b']二噻吩-2,6-二基)双(三甲基锡) 数据
Mol:
 0  0  0  0  0  0  0  0
    3.2723    2.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5584    1.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2718   -2.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5576   -1.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9861    3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2723    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9861   -3.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2718   -2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040    2.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9861    1.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7003   -2.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9861   -1.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4178    3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4145   -3.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7003   -2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    2.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4178    1.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1287   -2.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4145   -1.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8454    3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8429   -3.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5592    2.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5592   -2.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  3  1  0      
  1  4  1  0      
  1  5  1  0      
  5  6  2  0
  5  7  1  0
  6  8  1  0
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  8 10  2  0
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 11 14  1  0
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 12 14  2  0
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 27 33  1  0      
 27 34  1  0      
 28 35  1  0      
 30 36  1  0      
 35 37  1  0      
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 36 39  1  0      
 36 40  1  0      
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 59 62  1  0      
 61 63  1  0      
 62 64  1  0      
M  END                                
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(4,8-双(4-氯-5-(2-己基癸基)噻吩-2-基)苯并[1,2-b:4,5-b']二噻吩-2,6-二基)双(三甲基锡) Smile 编码:
[Sn](C1SC2=C(C3=CC(Cl)=C(CC(CCCCCC)CCCCCCCC)S3)C3C=C([Sn](C)(C)C)SC=3C(C3=CC(Cl)=C(CC(CCCCCC)CCCCCCCC)S3)=C2C=1)(C)(C)C
(4,8-双(4-氯-5-(2-己基癸基)噻吩-2-基)苯并[1,2-b:4,5-b']二噻吩-2,6-二基)双(三甲基锡) InChi 编码:
1S/C50H70Cl2S4.6CH3.2Sn/c1-5-9-13-17-19-23-27-37(25-21-15-11-7-3)33-43-41(51)35-45(55-43)47-39-29-31-54-50(39)48(40-30-32-53-49(40)47)46-36-42(52)44(56-46)34-38(26-22-16-12-8-4)28-24-20-18-14-10-6-2;;;;;;;;/h29-30,35-38H,5-28,33-34H2,1-4H3;6*1H3;;
(4,8-双(4-氯-5-(2-己基癸基)噻吩-2-基)苯并[1,2-b:4,5-b']二噻吩-2,6-二基)双(三甲基锡) InChiKey 编码:
DKZQMJPSRPPPDE-UHFFFAOYSA-N