硬脂酸异丙酯结构式

中文名称:硬脂酸异丙酯
英文名称:isopropyl stearate
CAS No.:112-10-7
分子式:C21H42O2 分子量:326.55698
硬脂酸异丙酯 数据
Mol:
  0  0  0  0  0  0  0  0
   24.4739    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8335    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1932    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    2.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    1.5700    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
    0.0000    2.3550    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 17 18  1  0  0  0  0
  1 19  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END                                
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硬脂酸异丙酯 Smile 编码:
C(OC(C)C)(=O)CCCCCCCCCCCCCCCCC
硬脂酸异丙酯 InChi 编码:
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3
硬脂酸异丙酯 InChiKey 编码:
ZPWFUIUNWDIYCJ-UHFFFAOYSA-N