吡啶甲酸铬结构式

中文名称:吡啶甲酸铬
英文名称:Chromium picolinate
CAS No.:14639-25-9
分子式:C18H12CrN3O6 分子量:418.300485610962
吡啶甲酸铬 数据
Mol:
 0  0  0
   -0.7118   -2.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487    1.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8466    1.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8487   -0.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7110    3.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487    1.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8466    1.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  4  6  2  0     0  0
  4  7  1  0     0  0
  5  6  1  0     0  0
  5  8  1  0     0  0
  5  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  7 13  2  0     0  0
  8 14  2  0     0  0
  8 15  1  0     0  0
  9 16  2  0     0  0
  9 17  1  0     0  0
 10 18  1  0     0  0
 11 19  1  0     0  0
 12 20  2  0     0  0
 13 20  1  0     0  0
 14 19  1  0     0  0
 14 21  1  0     0  0
 15 22  2  0     0  0
 16 18  1  0     0  0
 16 23  1  0     0  0
 17 24  2  0     0  0
 18 25  2  0     0  0
 19 26  2  0     0  0
 21 27  2  0     0  0
 22 27  1  0     0  0
 23 28  2  0     0  0
 24 28  1  0     0  0
M  CHG  4   5   3   6   1   8   1   9   1
M  END                                
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吡啶甲酸铬 Smile 编码:
O=C1C2C=CC=C[N+]=2[Cr+3]23(OC(=O)C4C=CC=C[N+]2=4)(OC(=O)C2C=CC=C[N+]3=2)O1
吡啶甲酸铬 InChi 编码:
1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
吡啶甲酸铬 InChiKey 编码:
CBDQOLKNTOMMTL-UHFFFAOYSA-K