Molecule Editor

Molecule ID: FYI-1006966 Edit

Molecule Structure InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N

Molecule Structure SMILES String: O=C(O)/C=C/c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006966
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4001    6.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    7.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6072    7.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    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
  1  4  2  0  0  0  0
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006966-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    3.8091    1.0736   -0.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4672   -1.1212    0.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.2428    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910    1.0706    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6501   -1.2813   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867   -0.5303    0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5571    1.3454    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0163   -1.0065   -0.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4698    0.3069   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190    0.3931   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396   -0.0077   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5263    1.9121    0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3155   -2.3112   -0.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588   -1.5586    0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9115    2.3672    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7270   -1.8151   -0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5336    0.5208   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4149    1.4255   -0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661    0.8609   -0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$