Molecule Editor

Molecule ID: FYI-1016265 Edit

Molecule Structure InChIKey: XQDLQQYTXOVDQQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCC#CCC#CC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016265
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    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
    0.0000    3.5000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  3  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  3  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016265-3D
FYIcenter.com

 51 50  0     0  0  0  0  0  0999 V2000
   -0.9649   -1.0741   -2.2366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5445   -2.4901   -1.3117 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5978    2.4498   -1.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2606    2.4864   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076    3.2357   -1.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487    1.6802   -0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8518    2.7831   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4598    1.7037    1.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619    1.3128   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8005    0.9766    0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2753    0.9369    0.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6799    0.9435    2.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364   -0.5198    0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9594    0.1420    1.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6284   -1.4648    1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990   -2.2152    1.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5353   -3.1024    1.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -2.7448    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965   -2.4257   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205   -2.0145   -1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238   -0.5995   -3.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8120    1.4110   -1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    2.0722    0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7509    3.4111   -0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3739    0.6790   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6988    1.1245   -1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3641    1.4422    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5985   -0.0556    0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8333    1.1225    1.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1548    1.5871    0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9367    1.9696    2.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1088    0.5135    2.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5029   -0.6985    1.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090   -0.6974   -0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7356   -0.9001    1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5483    0.1533    2.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5735    0.5628    1.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8469   -4.1377    1.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -3.0643    2.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4566    0.1976   -3.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8003   -0.1904   -2.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2143   -1.4093   -3.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
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 14 46  1  0  0  0  0
 15 16  3  0  0  0  0
 16 17  1  0  0  0  0
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 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  3  0  0  0  0
 19 20  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
M  END
$$$$