4,8-二(5-醛基噻吩-2-基)苯并[1,2-C:4,5-C']双([1,2,5]噻二唑)结构式

4,8-二(5-醛基噻吩-2-基)苯并[1,2-C:4,5-C']双([1,2,5]噻二唑)
中文名称:4,8-二(5-醛基噻吩-2-基)苯并[1,2-C:4,5-C']双([1,2,5]噻二唑)
英文名称:4,8-di(5-carbaldehydethiophene-2-yl)benzo[1,2-c:4,5-c']bis[1,2,5]thiadiazole
CAS No.:1292303-62-8
分子式:C16H6N4O2S4 分子量:414.504436969757
4,8-二(5-醛基噻吩-2-基)苯并[1,2-C:4,5-C']双([1,2,5]噻二唑) 数据
Mol:
 0  0  0  0  0  0  0  0
   -2.1405    0.4119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -0.4131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405    0.4119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023   -1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520   -2.1531    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6841   -2.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842   -2.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451   -2.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977   -3.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113   -2.9240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  1  3  1  0      
  3  4  1  0
  3  5  2  0
  4  6  1  0
  5  7  1  0
  6  7  2  0
  6  8  1  0      
  8  9  1  0
  8 10  2  0
  9 11  1  0
  9 12  2  0
 10 13  1  0
 10 14  1  0
 11 15  1  0
 11 16  2  0
 12 17  1  0
 13 15  2  0
 13 18  1  0
 14 19  2  0
 15 20  1  0      
 16 17  1  0
 18 19  2  0
 20 21  1  0
 20 22  2  0
 21 23  1  0
 22 24  1  0
 23 24  2  0
 23 25  1  0      
 25 26  2  0      
M  END                                
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4,8-二(5-醛基噻吩-2-基)苯并[1,2-C:4,5-C']双([1,2,5]噻二唑) Smile 编码:
C(C1=CC=C(C2=C3N=S=NC3=C(C3=CC=C(C=O)S3)C3=NSN=C23)S1)=O
4,8-二(5-醛基噻吩-2-基)苯并[1,2-C:4,5-C']双([1,2,5]噻二唑) InChi 编码:
1S/C16H6N4O2S4/c21-5-7-1-3-9(23-7)11-13-15(19-25-17-13)12(16-14(11)18-26-20-16)10-4-2-8(6-22)24-10/h1-6H
4,8-二(5-醛基噻吩-2-基)苯并[1,2-C:4,5-C']双([1,2,5]噻二唑) InChiKey 编码:
AFQQOBHTMBMMKP-UHFFFAOYSA-N