Molecule Editor

Molecule ID: FYI-1005172 Edit

Molecule Structure InChIKey: GNFNPTODLDTSIH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCOC(=O)CCN(CCCCC)CCC(=O)OCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005172
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
    7.1263    9.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0602    7.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2382    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1721    5.6629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4824    7.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3502    4.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2841    3.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6276    3.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9585    1.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3020    1.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6328    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   15.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   16.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   17.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   18.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   19.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   20.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0995    0.0000 O   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
  2  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  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 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
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 20 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005172-3D
FYIcenter.com

 73 72  0  0  0  0  0  0  0  0999 V2000
    2.7098    2.1961    1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590    1.2798    2.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    0.1448    1.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0206   -0.7667    2.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6495   -1.9131    1.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4964   -2.7751    2.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0793   -3.8629    1.6546 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4499   -3.8937    1.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1801   -2.9848    1.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8627   -5.2654    2.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3716   -5.4775    2.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8223   -6.8214    2.6712 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3588   -7.9297    1.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7841   -9.3345    2.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2685   -9.7516    3.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7513   -9.7249    3.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1807  -10.1210    4.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3135   -6.8240    2.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9474   -5.8108    3.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4486   -5.8816    3.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1242   -6.6829    2.9879 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9661   -4.9895    4.5529 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7579   -5.5725    5.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1881   -5.0459    5.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0127   -5.6630    6.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4551   -5.1568    6.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2681   -5.7829    7.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7037   -5.2816    7.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2816    3.0009    1.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8865    1.6431    0.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    2.6497    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9385    0.8661    2.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3541    1.8665    2.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7850    0.5626    0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3693   -0.4390    0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3969   -1.1797    3.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2681   -7.9015    1.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8665   -9.3801    2.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5185  -10.0833    1.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852   -9.0936    4.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3834  -10.4087    2.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  2  0  0  0  0
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 28 73  1  0  0  0  0
M  END
$$$$