11-Eicosenyl methanesulfonate结构式

11-Eicosenyl methanesulfonate
中文名称:11-Eicosenyl methanesulfonate
英文名称:11-Eicosenyl methanesulfonate
CAS No.:72434-97-0
分子式:C21H42O3S 分子量:374.621386051178
11-Eicosenyl methanesulfonate 数据
Mol:
    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7710   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4855    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9144    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4855   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  1  0      
  3  4  1  0      
  4  5  1  0      
  5  6  1  0      
  6  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  2  0      
 12 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 19 20  1  0      
 22 23  2  0      
 22 24  2  0      
 22 25  1  0      
 21 22  1  0      
  1 25  1  0      
M  END                                
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11-Eicosenyl methanesulfonate Smile 编码:
C(OS(C)(=O)=O)CCCCCCCCC/C=C\CCCCCCCC
11-Eicosenyl methanesulfonate InChi 编码:
1S/C21H42O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-25(2,22)23/h10-11H,3-9,12-21H2,1-2H3/b11-10-
11-Eicosenyl methanesulfonate InChiKey 编码:
XEGHZUQKODVIBC-KHPPLWFESA-N