Molecule Editor

Molecule ID: FYI-1016105 Edit

Molecule Structure InChIKey: MMXDTDKMHXNOQS-UHFFFAOYSA-N

Molecule Structure SMILES String: N#N=NCCOC(=O)CCCCC(=O)OCCN=N#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1016105
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
    9.6996    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  3  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016105-3D
FYIcenter.com

 36 35  0     0  0  0  0  0  0999 V2000
   -1.0541   -2.1357   -0.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2484    1.4280    0.0755 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1985   -2.4091   -2.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    1.1011    2.1024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7908   -0.2153    0.9899 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3390    2.0395   -0.8895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6439    0.1916    1.7981 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1651    2.3905   -1.7500 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.4202    0.5699    2.5432 N   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9262    2.7040   -2.5397 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.0068   -2.0475    0.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   -1.3265   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820   -3.1063    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8113   -0.3162    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0465   -2.5156   -0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1206    0.8116    0.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150   -1.5616   -0.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928    2.5046    0.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622   -1.1917    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752    3.0847   -0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4068   -1.3192    1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6804   -2.5304    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737   -0.8196   -1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4079   -2.0667   -0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6547   -3.8527   -0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5700   -3.6566    0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849   -0.8191    0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4372    0.1250   -0.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7426   -0.6695   -1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4605   -2.2902   -1.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9016    2.1249    1.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1780    3.2808    0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0895   -0.7749   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6186   -2.0880    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0116    3.9270   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    3.4467   -1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5  7  2  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6 20  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$