Molecule FYI-1005172

A

Molecule Summary:

ID: FYI-1005172
Names:
InChIKey: GNFNPTODLDTSIH-UHFFFAOYSA-N
SMILES: CCCCCCOC(=O)CCN(CCCCC)CCC(=O)OCCCCCC

Received at FYIcenter.com on: 2023-10-16

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
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  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
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 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 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
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 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
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    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
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   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
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    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
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    9.2681   -7.9015    1.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   10.6346  -10.7635    3.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3834  -10.4087    2.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003   -8.7254    3.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 36  1  0  0  0  0
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  6  7  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
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 27 28  1  0  0  0  0
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 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
M  END
$$$$

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2023-11-02, 844👍, 0💬