Molecule Editor

Molecule ID: FYI-1015930 Edit

Molecule Structure InChIKey: YDTBKVHYPMHVPE-NSCUHMNNSA-N

Molecule Structure SMILES String: C/C=C/CNC(=O)CCCCCCCCC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015930
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   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
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   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
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8611    1.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0916    1.9009    0.0000 C   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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
  1 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015930-3D
FYIcenter.com

 44 43  0  0  0  0  0  0  0  0999 V2000
    7.1177   -5.6789   -1.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9744   -4.4668   -0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6787   -3.4668   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766   -2.2101    0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8518   -2.0454    1.4759 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5237   -0.9008    2.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8466    0.0026    1.6902 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1035   -0.8501    3.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    0.4395    4.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2418    0.5591    5.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7682    0.5985    5.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2831    0.7534    7.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8109    0.7534    7.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3256    0.8849    8.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8497    0.8897    8.6729 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3535    1.0198   10.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7122    1.0306   10.2069 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6410    1.1085   11.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5545   -6.3446   -1.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1153   -5.4032   -1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420   -6.2340   -0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8550   -4.4007   -1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7790   -3.5250    0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8830   -1.3630   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4013   -2.2515   -0.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4476   -2.7411    1.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1941   -0.9089    3.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7590   -1.7233    4.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5996    0.4934    4.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0217    1.3076    3.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8704   -0.2728    6.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8459    1.4804    6.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1314    1.4292    5.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1807   -0.3244    5.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9050   -0.0702    7.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9033    1.6862    7.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1904    1.5812    6.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1877   -0.1761    6.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9394    0.0559    9.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9382    1.8094    9.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2433    1.7281    8.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2437   -0.0415    8.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3354    0.9766    9.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1013    1.1231   11.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
M  END
$$$$