Molecule Editor

Molecule ID: FYI-1016509 Edit

Molecule Structure InChIKey: FFARAHTUJVXTLB-OWOJBTEDSA-N

Molecule Structure SMILES String: O=C1CCC/C=C/CCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016509
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  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
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016509-3D
FYIcenter.com

 27 27  0     0  0  0  0  0  0999 V2000
   -0.5488    1.6301    1.2661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0654    1.0942    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246   -0.2935   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8274    1.5286   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7186    0.9959   -0.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614   -0.0836   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759   -1.4968    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    1.3835    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779   -1.5017   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5078   -1.6627   -0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6158   -1.5940    0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8600    1.8174   -0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9012    1.1529    1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548   -0.3404    0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -0.3897   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698    0.9841   -1.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080    2.5940   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    1.9100   -0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4343    0.6603   -1.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5564   -0.0923   -0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095    0.1687    1.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -1.4004    1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4488   -2.4071    0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502   -1.7968   -1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6433   -2.2118    0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411   -1.7475   -1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5547   -1.4822    1.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$