Molecule Editor

Molecule ID: FYI-1007012 Edit

Molecule Structure InChIKey: CDOSHBSSFJOMGT-JTQLQIEISA-N

Molecule Structure SMILES String: C=C[C@](C)(O)CC/C=C(C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007012
FYIcenter.com

 11 10  0  0  1  0  0  0  0  0999 V2000
    8.4872    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    1.9124    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
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  6  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007012-3D
FYIcenter.com

 29 28  0     1  0  0  0  0  0999 V2000
    2.5080   -0.9770   -1.4001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828   -0.4120   -0.2343 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3690   -0.7153   -0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866   -0.1799    0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -1.1426    0.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1407    1.0800   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253   -0.5862    0.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016    0.0889    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3258   -0.3724   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6095    1.4060   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8405    1.8106    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0094   -0.3157   -1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2332   -1.8032   -0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901    0.9057    0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374   -0.5934    1.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2883   -2.2161    0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6011   -1.0592    0.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1479   -0.7622    1.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    1.6103   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1827   -1.5444    1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1071   -0.5717   -2.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5923   -0.5029   -1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0055    0.3608    0.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4867   -1.3294    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1260    2.2142   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5502    1.6650   -0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9755    1.3875   -1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    2.8790    0.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3101    1.3790    1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
$$$$