Molecule FYI-1007598

A

Molecule Summary:

ID: FYI-1007598
Names:
InChIKey: AXUWZNVFKCYAPM-UHFFFAOYSA-N
SMILES: CCCCOC(=O)C(C)CC(CC(O)C(=O)OCCCC)C(=O)OCCCC

Received at FYIcenter.com on: 2024-03-05

Molecule ID: FYI-1007598 Edit

Molecule Structure InChIKey: AXUWZNVFKCYAPM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)C(C)CC(CC(O)C(=O)OCCCC)C(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007598
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   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
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  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
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 12 11  1  0  0  0  0
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 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
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 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007598-3D
FYIcenter.com

 66 65  0  0  1  0  0  0  0  0999 V2000
    0.8518    4.2914   -6.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8509    4.4457   -4.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1871    5.1542   -4.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    4.7898   -3.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6091    4.0580   -1.8033 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.5742    6.4765   -0.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    8.1933    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5772    9.0604    1.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9138   10.5501    1.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6924   11.0517    3.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0648   12.5146    3.4778 C   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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M  END
$$$$

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2024-03-17, 155👍, 0💬