3679-2160结构式

3679-2160
英文名称:3679-2160
CAS No.:425656-69-5
分子式:C17H12N3O5SCl 分子量:405.812
3679-2160 数据
Mol:
 8.6173    4.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2577    2.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6173    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8980    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8980    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5384    2.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1787    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5384    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1787    4.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 17  1  0  0  0  0
 26 27  2  0  0  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END                                
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3679-2160 Smile 编码:
O=[N+](C1C(Cl)=CC=C(C2=CC=C(/C=C3\C(=O)N(C)C(=S)N(C)C\3=O)O2)C=1)[O-]