4,4-dioxo-1,4-oxathiepan-6-ol结构式

4,4-dioxo-1,4-oxathiepan-6-ol
英文名称:4,4-dioxo-1,4-oxathiepan-6-ol
CAS No.:319909-10-9
分子式:C5H10O4S 分子量:166.195500850677
4,4-dioxo-1,4-oxathiepan-6-ol 数据
Mol:
  0  0  0  0  0  0
   -1.0123   -0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4737    0.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4737    0.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593    1.1086    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      
  1  7  1  0      
  6  8  1  0      
  4  9  2  0      
  4 10  2  0      
M  END                                
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4,4-dioxo-1,4-oxathiepan-6-ol Smile 编码:
O1CC(O)CS(=O)(=O)CC1
4,4-dioxo-1,4-oxathiepan-6-ol InChi 编码:
1S/C5H10O4S/c6-5-3-9-1-2-10(7,8)4-5/h5-6H,1-4H2
4,4-dioxo-1,4-oxathiepan-6-ol InChiKey 编码:
ADKSVHHWDBGRTH-UHFFFAOYSA-N