Molecule FYI-1003412

A

Molecule Summary:

ID: FYI-1003412
Names:
InChIKey: OGIFAXVQWKHARK-UHFFFAOYSA-N
SMILES: CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)S

Received at FYIcenter.com on: 2023-06-14

Molecule ID: FYI-1003412 Edit

Molecule Structure InChIKey: OGIFAXVQWKHARK-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)S

Download SDF Download SVG Structure in 2D SDF:

FYI-1003412
FYIcenter.com

 34 33  0  0  0  0  0  0  0  0999 V2000
   26.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7616    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003412-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    9.6371    0.6242    3.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2834    1.2088    3.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8777    1.3608    5.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.5042    2.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0345    2.4821    1.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4126    3.5946    2.1077 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1785    2.0754    0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0811    0.8822    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347   -0.2574    0.2521 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467    1.1325   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    0.0205   -0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1434    0.0665   -2.1687 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7064   -1.2204   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2972   -1.0363    1.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5880   -0.7274    2.0919 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7580   -1.3077    1.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6669   -0.4108    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2327    0.4983   -0.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1497   -0.6597    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6315   -1.8414   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8530   -2.5328   -0.7608 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1105   -2.1303   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8849   -2.6294    2.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
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 34 58  1  0  0  0  0
M  END
$$$$

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2023-07-01, 1445👍, 0💬