咪多卡二丙酸酯结构式

中文名称:咪多卡二丙酸酯
英文名称:Imidocarb dipropionate
CAS No.:55750-06-6
分子式:C25H32N6O5 分子量:496.5588
咪多卡二丙酸酯 数据
Mol:
 0  0  0  0  0  0  0  0  0  0
    9.4601    5.5349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7865    3.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2796    3.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6061    1.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4393    0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9462    1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6197    2.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3694    2.4160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6395    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1544    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5844    0.0000    0.0000 N   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  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 12 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 26  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 32  1  0  0  0  0
M  END                                
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咪多卡二丙酸酯 Smile 编码:
CCC(=O)O.CCC(=O)O.O=C(NC1=CC=CC(C2NCCN=2)=C1)NC1=CC=CC(C2NCCN=2)=C1
咪多卡二丙酸酯 InChi 编码:
1S/C19H20N6O.2C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2H2,1H3,(H,4,5)
咪多卡二丙酸酯 InChiKey 编码:
AFGQXWSHYUHHNV-UHFFFAOYSA-N