Molecule Editor

Molecule ID: FYI-1008064 Edit

Molecule Structure InChIKey: OHUCWJWXSASQMX-XNTDXEJSSA-N

Molecule Structure SMILES String: C=C/C=C(C=C)/c1ccccc1C2=CC=CCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008064
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   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
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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 14  1  0  0  0  0
 16 15  2  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008064-3D
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    5.1415    0.1210    2.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5429    0.0854    1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141    0.8301    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.8321   -1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    0.0075   -1.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767    0.4640   -1.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1781    1.6859   -2.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    3.0309   -2.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4494    3.8896   -3.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5242    3.4237   -3.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9172    2.0902   -3.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2421    1.2057   -2.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -0.2071   -2.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0849   -1.0402   -3.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5168   -2.4120   -3.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3115   -2.9702   -2.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -2.1930   -1.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601   -0.6630   -1.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7448   -0.4508    3.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0319    0.7182    2.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6529   -0.5291    1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8925    1.4528    0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501   -1.0609   -1.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925    1.5188   -2.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -0.2263   -2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608    3.4162   -1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1285    4.9234   -3.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0498    4.0914   -4.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7498    1.7335   -4.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3055   -0.7004   -4.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1583   -2.9834   -4.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6019   -4.0125   -3.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8400   -2.4905   -1.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2022   -2.4776   -0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162   -0.3275   -2.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6753   -0.1945   -0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$