Molecule FYI-1001203

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Molecule Summary:

ID: FYI-1001203
SMILES: C1=CCC(c2cccc(-c3ccccc3)c2)=C1

Received at FYIcenter.com on: 2022-03-07

Molecule ID: FYI-1001203 Edit

Molecule Structure SMILES String: C1=CCC(c2cccc(-c3ccccc3)c2)=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001203
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    5.8531    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2999    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
    1.2125    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
    1.2125    0.0000    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
    2.4249    2.1000    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
    4.9163    6.4305    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  1  0  0  0  0
  6  5  2  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  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 16  5  1  0  0  0  0
 17  4  2  0  0  0  0
 17  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001203-3D
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.1834   -0.2843    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7858    0.8194   -0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7063    0.8119   -0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0885   -0.4752   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4732   -0.9464    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -1.8376    1.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1686   -2.2657    1.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1398   -1.7977    0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8202   -0.8760   -0.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8609   -0.2931   -1.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1467   -0.0029   -1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1151    0.6149   -1.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8174    0.9647   -3.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5594    0.6777   -3.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5970    0.0469   -2.9143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4722   -0.4762   -0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0294   -1.0837    0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1971   -0.5558    0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4369    1.5960   -0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789    0.8082   -1.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1472    1.6807   -0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198   -2.1960    1.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4462   -2.9540    1.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1592   -2.1582    0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4045   -0.2295   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0954    0.8348   -1.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5628    1.4627   -3.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3209    0.9506   -4.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6285   -0.1709   -3.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019    0.2374   -1.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0977   -2.0293    0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 221👍, 0💬