Molecule Editor

Molecule ID: FYI-1004200 Edit

Molecule Structure InChIKey: ZMOMBHNITWAALH-KTKRTIGZSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCCNCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004200
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   20.6114    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9742    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004200-3D
FYIcenter.com

 63 62  0  0  0  0  0  0  0  0999 V2000
    5.0431    5.9752    8.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1395    5.3503    7.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685    3.8404    7.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2653    3.2036    6.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    1.6947    7.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3654    1.0494    6.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3709   -0.4617    6.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4664   -1.0729    5.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5045   -2.5638    5.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3646   -3.3159    4.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4135   -2.7835    4.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5596   -4.8013    5.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8038   -6.3042    5.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2251   -6.5997    5.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9068   -8.3773    6.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7500  -11.5956    6.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4354   -0.6631    5.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 28  1  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
$$$$