4-(4-Formyl-2-iodo-phenoxymethyl)-benzoic acid结构式

4-(4-Formyl-2-iodo-phenoxymethyl)-benzoic acid
英文名称:4-(4-Formyl-2-iodo-phenoxymethyl)-benzoic acid
CAS No.:428504-05-6
分子式:C15H11O4I 分子量:382.149
4-(4-Formyl-2-iodo-phenoxymethyl)-benzoic acid 数据
Mol:

   12.2369    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    2.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  0  0  0  0
  7 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  2  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
 16 18  2  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 12  2  0  0  0  0
M  END                                
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4-(4-Formyl-2-iodo-phenoxymethyl)-benzoic acid Smile 编码:
O=CC1=CC=C(OCC2=CC=C(C(=O)O)C=C2)C(I)=C1