Molecule Editor

Molecule ID: FYI-1011618 Edit

Molecule Structure InChIKey: GESHRHVYCSRGQP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1011618
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    0.0000    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
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011618-3D
FYIcenter.com

 65 64  0  0  0  0  0  0  0  0999 V2000
    0.8788   -0.0404   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962   -0.0472   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266   -1.4536    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4490   -1.4625    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667   -2.8718    0.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4864   -2.8801    0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003   -4.2884    0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187   -4.2904    0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0367   -5.6949    0.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5581   -5.6902    1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0765   -7.0932    1.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5985   -7.1060    1.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0865   -8.5283    1.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6055   -8.5858    1.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1612   -9.9937    1.8018 C   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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  2 29  1  0  0  0  0
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 25 65  1  0  0  0  0
M  END
$$$$