Molecule Editor

Molecule ID: FYI-1015501 Edit

Molecule Structure InChIKey: SCCDQYPEOIRVGX-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc1ccc(OC(C)=O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015501
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015501-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
    0.9053    1.9380    0.5094 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2471   -0.1085   -0.8089 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878   -0.9904    1.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251   -0.5915    0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1522   -0.7692    0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0642    0.6019    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2702    0.7684    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0516   -1.6185   -0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438   -0.2587   -0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2829   -1.4521   -0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1193   -0.3191   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8388    2.9723   -0.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678   -0.5268    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9998    0.6758   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5683   -0.3217   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3479   -1.8265    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3405   -0.2417    1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5843    1.4063    1.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -2.5527   -0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8011   -2.2560   -1.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1040   -0.8534   -1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    2.6436   -1.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948    3.8358   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1999    3.2721   -0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6743    0.9444   -1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0626    1.2368    0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7291   -0.9127   -1.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   -0.6529    0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7376    0.7397   -0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$