Molecule FYI-1007390

A

Molecule Summary:

ID: FYI-1007390
Names:
InChIKey: HORIEOQXBKUKGQ-UHFFFAOYSA-N
SMILES: CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007390 Edit

Molecule Structure InChIKey: HORIEOQXBKUKGQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007390
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8499    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
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 20 19  2  0  0  0  0
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 23 22  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007390-3D
FYIcenter.com

 78 78  0  0  1  0  0  0  0  0999 V2000
    6.0524   -2.5988  -11.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5880   -1.9305  -10.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4444   -1.2370   -9.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3130   -2.9684   -9.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-02-28, 170👍, 0💬