Butanoic acid,2-hydroxy-4,4-dinitro-, methyl ester, potassium salt (1:1)结构式

Butanoic acid,2-hydroxy-4,4-dinitro-, methyl ester, potassium salt (1:1)
英文名称:Butanoic acid,2-hydroxy-4,4-dinitro-, methyl ester, potassium salt (1:1)
CAS No.:997-17-1
分子式:C5H8N2O7.K+ 分子量:247.22452
Butanoic acid,2-hydroxy-4,4-dinitro-, methyl ester, potassium salt (1:1) 数据
Mol:
  0  0  0
    4.0790    7.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    7.8500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3597    4.7100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3597    3.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4950    0.0000 O   0  5  0  0  0  0  0  0  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
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1   1   1
M  CHG  1  10   1
M  CHG  1  12  -1
M  CHG  1  13   1
M  CHG  1  15  -1
M  END                                
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Butanoic acid,2-hydroxy-4,4-dinitro-, methyl ester, potassium salt (1:1) Smile 编码:
[K+].COC(C(CC([N+]([O-])=O)[N+]([O-])=O)O)=O
Butanoic acid,2-hydroxy-4,4-dinitro-, methyl ester, potassium salt (1:1) InChi 编码:
InChI=1S/C5H8N2O7.K/c1-14-5(9)3(8)2-4(6(10)11)7(12)13;/h3-4,8H,2H2,1H3;/q;+1
Butanoic acid,2-hydroxy-4,4-dinitro-, methyl ester, potassium salt (1:1) InChiKey 编码:
YCYPXTJXSBGYHF-UHFFFAOYSA-N