Molecule FYI-1005169

A

Molecule Summary:

ID: FYI-1005169
Names:
InChIKey: MOQCKQYJEZCNRE-UHFFFAOYSA-N
SMILES: CCCCCN(CCCCC(=O)OCCCC)CCCCC(=O)OCCCC

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

Molecule ID: FYI-1005169 Edit

Molecule Structure InChIKey: MOQCKQYJEZCNRE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCN(CCCCC(=O)OCCCC)CCCCC(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005169
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   14.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   16.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   16.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   18.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   18.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   20.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246   21.0000    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 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
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  2  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005169-3D
FYIcenter.com

 73 72  0  0  0  0  0  0  0  0999 V2000
    3.8885   -0.0290   -2.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675   -0.0809   -1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371   -1.1499   -0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166   -1.1090    1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9763   -2.0621    1.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4541   -1.9468    1.9877 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380   -0.6134    2.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726   -0.4396    2.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1338   -0.6121    1.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5681    0.3902    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1832    0.1986   -1.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7242    0.2973   -4.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4712    0.8650   -5.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2013   -4.7626    1.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8647   -6.1917    0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4093   -6.4846   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8302   -8.4551   -3.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6039   -0.2856   -0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2158   -0.4614    1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4898    0.2639   -0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7201    2.1626   -3.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6431    0.2940   -4.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0112   -0.7450   -4.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1778    1.9097   -5.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5840   -4.6036    2.4665 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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  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
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  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
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 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 26 27  1  0  0  0  0
 26 67  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1822👍, 0💬