Molecule Editor

Molecule ID: FYI-1006997 Edit

Molecule Structure InChIKey: SJRXWMQZUAOMRJ-VOTSOKGWSA-N

Molecule Structure SMILES String: CCC/C=C/C(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006997
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006997-3D
FYIcenter.com

 24 23  0     0  0  0  0  0  0999 V2000
   -2.1465   -0.4605   -0.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2656    1.6644    0.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -0.0048    0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6036   -0.1934   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190   -0.6265    0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717    0.4451   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -0.2403   -0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4626    0.0479    0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1502    0.4655   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4510   -1.0975    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -0.4611    1.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6932    1.0633    0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    0.2652   -1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872   -1.2631   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3848   -0.1684   -0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5878   -0.4805    1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8283   -1.7024    0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2772    1.5208   -0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -1.3127   -0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4954    0.5204    1.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7142    0.7895   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4697   -0.7436    0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4168   -1.5915   -0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2017   -1.8563    0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$