R-Acebutolol结构式

R-Acebutolol
英文名称:R-Acebutolol
CAS No.:68107-81-3
分子式:C18H28N2O4 分子量:336.42592
R-Acebutolol 数据
Mol:
  0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    5.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    2.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    7.8500    0.0000 C   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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 13 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24  7  2  0  0  0  0
M  END                                
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R-Acebutolol Smile 编码:
CCCC(NC1=CC=C(OCC(CNC(C)C)O)C(C(=O)C)=C1)=O
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