Molecule Editor

Molecule ID: FYI-1007004 Edit

Molecule Structure InChIKey: UWHZIFQPPBDJPM-BQYQJAHWSA-N

Molecule Structure SMILES String: CCCCCC/C=C/CCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007004
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007004-3D
FYIcenter.com

 54 53  0     0  0  0  0  0  0999 V2000
   -8.0960   -2.7586    0.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1581   -0.7174   -0.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    1.1824    0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0912    2.4900   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073    1.1097   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3826    2.5453    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9046   -0.1902    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    3.8186   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3778   -0.2493   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5548    3.9464    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7705   -0.4164    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7419   -1.4603   -0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1564    0.9936   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3776   -2.8678    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893    2.9188   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0547   -1.5495    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2218    2.0211    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3681   -3.9058   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9908   -5.3107    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5281   -1.5997   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830    1.1028    1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4542    2.4661    1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3699   -1.0407   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0840    3.8748   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    4.6883    0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7656   -0.4687    1.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622   -1.2184    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0540   -2.7940    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
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  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
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 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
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 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 18  1  0  0  0  0
 14 43  1  0  0  0  0
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 15 17  2  0  0  0  0
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 18 50  1  0  0  0  0
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 19 53  1  0  0  0  0
M  END
$$$$