Molecule FYI-1001805

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A

Molecule Summary:

ID: FYI-1001805
SMILES: CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001805 Edit

Molecule Structure SMILES String: CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001805
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   13.3368   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.1000    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
    4.8499    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    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
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  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
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 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001805-3D
FYIcenter.com

 78 78  0  0  1  0  0  0  0  0999 V2000
    3.7201   -2.4442    1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8520   -0.9838    1.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8658   -0.7730    3.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9256    0.7099    3.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9398    0.9852    4.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0944    2.4886    4.8666 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7684    3.1242    5.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8581    4.6360    5.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5275    5.2172    6.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2084    2.6535    5.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    2.2085    5.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1785    3.1628    4.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6852    4.1041    4.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6380    2.9628    4.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3162    3.2202    3.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7117    3.2260    3.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7425    2.9744    7.7319 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5615    1.5995    8.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 60  1  0  0  0  0
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 32 78  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-06, 2461👍, 0💬