5-[(苯基磺酰基)甲基]-2-糠酸甲酯结构式

5-[(苯基磺酰基)甲基]-2-糠酸甲酯
中文名称:5-[(苯基磺酰基)甲基]-2-糠酸甲酯
英文名称:methyl 5-(benzenesulfonyl)methylfuran-2-carboxylate
CAS No.:91903-72-9
分子式:C13H12O5S 分子量:280.29638
5-[(苯基磺酰基)甲基]-2-糠酸甲酯 数据
Mol:
  0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6094    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9691    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3287    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9691    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6094    0.7850    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END                                
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5-[(苯基磺酰基)甲基]-2-糠酸甲酯 Smile 编码:
COC(C1=CC=C(CS(C2C=CC=CC=2)(=O)=O)O1)=O
5-[(苯基磺酰基)甲基]-2-糠酸甲酯 InChi 编码:
InChI=1S/C13H12O5S/c1-17-13(14)12-8-7-10(18-12)9-19(15,16)11-5-3-2-4-6-11/h2-8H,9H2,1H3
5-[(苯基磺酰基)甲基]-2-糠酸甲酯 InChiKey 编码:
ZBQTVMXADXLQBU-UHFFFAOYSA-N