Molecule FYI-1007391

A

Molecule Summary:

ID: FYI-1007391
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-1007391 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-1007391
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
    3.6373    4.2000    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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    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
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   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 10  9  1  0  0  0  0
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 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  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 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-1007391-3D
FYIcenter.com

 78 78  0  0  1  0  0  0  0  0999 V2000
    9.8119    0.0385   -5.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4974   -0.1787   -4.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0077   -0.3050   -4.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.9696   -3.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7610    0.8257   -1.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3796    1.9753   -0.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0430    1.7841    0.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6943    2.9098    1.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3660    2.6721    2.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0962    3.7483    3.6704 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3599    3.4152    4.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.4017    4.8793 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6953    4.3727    5.9058 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9680    3.9797    7.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3419    4.9011    8.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1255    6.3687    7.9992 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, 1193👍, 0💬