Molecule Editor

Molecule ID: FYI-1014915 Edit

Molecule Structure InChIKey: AULDOYBVAFWGTB-QGAMPUOQSA-N

Molecule Structure SMILES String: C/C=C\C.C=CC(=C)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014915
FYIcenter.com

 12 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014915-3D
FYIcenter.com

 28 26  0  0  0  0  0  0  0  0999 V2000
    1.0020    0.5571    1.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4867    0.6635    1.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202    1.7529    1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6997    3.0721    1.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0254   -0.4855   -3.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5090   -1.1329   -2.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024   -1.3527   -1.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -0.7029   -2.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0372   -2.3819   -0.7343 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126   -2.5307    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0387   -3.8840    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249   -1.7341    0.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6844   -0.4572    0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5122    1.2471    0.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624    0.7559    2.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120   -0.2312    0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3005    1.6857    1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086    3.1331    1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    3.8731    1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0218    3.2499    2.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9528   -0.3983   -3.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6606   -0.0324   -3.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7902   -1.5592   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051    0.0652   -3.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9652   -0.9190   -1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0186   -4.2766    0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155   -3.8095    1.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7096   -4.5674    0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
$$$$