Molecule FYI-1003468

A

Molecule Summary:

ID: FYI-1003468
Names:
InChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-N
SMILES: CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003468 Edit

Molecule Structure InChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003468
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    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  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003468-3D
FYIcenter.com

 66 66  0  0  1  0  0  0  0  0999 V2000
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    4.0936   -0.4383   -1.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0390   -1.7723   -0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4752   -1.6833   -1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6498   -6.3738   -0.1987 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.0805   -6.0237   -7.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3167   -5.2526   -1.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
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  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
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  6  7  1  0  0  0  0
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 28 66  1  0  0  0  0
M  END
$$$$

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2023-07-08, 1722👍, 0💬