(±)-1-癸酰基-3-氯丙二醇结构式

(±)-1-癸酰基-3-氯丙二醇
中文名称:(±)-1-癸酰基-3-氯丙二醇
英文名称:rac-1-Decanoyl-3-Chloropropanediol
CAS No.:3537-37-9
分子式:C13H25ClO3 分子量:264.79
(±)-1-癸酰基-3-氯丙二醇 数据
Mol:
   1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.2062    0.0000 Cl  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      
  1 11  2  0      
  1 12  1  0      
 13 14  1  0      
 14 15  1  0      
 14 16  1  0      
 15 17  1  0      
 12 13  1  0      
M  END                                
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(±)-1-癸酰基-3-氯丙二醇 Smile 编码:
C(OCC(O)CCl)(=O)CCCCCCCCC
(±)-1-癸酰基-3-氯丙二醇 InChi 编码:
1S/C13H25ClO3/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,15H,2-11H2,1H3
(±)-1-癸酰基-3-氯丙二醇 InChiKey 编码:
LEEWCNKLRVMRQE-UHFFFAOYSA-N