OSSK_201413结构式

OSSK_201413
英文名称:OSSK_201413
CAS No.:355418-46-1
分子式:C20H13N2O2F3SClBr 分子量:517.747
OSSK_201413 数据
Mol:
  0  0  0  0  0
    9.9908    3.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3523    2.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7909    2.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680    3.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5066    5.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2751    1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0049    0.3473    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1979    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5452    2.1930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6453   13.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 13 30  1  0  0  0  0
 30  9  1  0  0  0  0
M  END                                
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OSSK_201413 Smile 编码:
ClC1=CC=C(SC2OC(/C=N/NC(CC3=CC=CC(C(F)(F)F)=C3)=O)=CC=2Br)C=C1