间苯二酚结晶紫结构式

间苯二酚结晶紫
中文名称:间苯二酚结晶紫
英文名称:RESORCIN CRYSTAL VIOLET
CAS No.:81133-29-1
分子式:C25H30N3.C6H5O2-.HCl 分子量:518.089
间苯二酚结晶紫 数据
Mol:
0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386   11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6899    8.2425    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.0496    7.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4093    8.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7689    7.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7689    5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4093    5.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0496    5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4093    3.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8622    5.8875    0.0000 Cl  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  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  3  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  2 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 30  2  0  0  0  0
 34 36  1  0  0  0  0
M  CHG  1  29  -1
M  END                                
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间苯二酚结晶紫 Smile 编码:
CN(C)C1=CC=C(C(C2=CC=C(N(C)C)C=C2)=C2C=CC(=N(C)C)C=C2)C=C1.[O-]C1=CC(O)=CC=C1.Cl
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