Molecule FYI-1004509

A

Molecule Summary:

ID: FYI-1004509
Names:
InChIKey: BGNVBNJYBVCBJH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC

Received at FYIcenter.com on: 2023-09-11

Molecule ID: FYI-1004509 Edit

Molecule Structure InChIKey: BGNVBNJYBVCBJH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004509
FYIcenter.com

 50 49  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9744    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2817    4.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6458    4.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2534    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6458    1.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 14  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 18  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 25  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 26  1  0  0  0  0
 32 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 30  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 35  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 39  1  0  0  0  0
 45 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004509-3D
FYIcenter.com

137136  0  0  0  0  0  0  0  0999 V2000
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    2.3244   16.1982  -12.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1422   15.5880  -11.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9094   14.9836  -10.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-16, 2051👍, 0💬