Molecule FYI-1009848

A

Molecule Summary:

ID: FYI-1009848
Names:
InChIKey: VTTDLGQEAGEBOQ-SCRWOOCSSA-N
SMILES: CCCCCCCC/C=C\\CCCCCC/C(C(=O)O)=C(C)\\C(=O)O

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009848 Edit

Molecule Structure InChIKey: VTTDLGQEAGEBOQ-SCRWOOCSSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCC/C(C(=O)O)=C(C)\C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009848
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   16.9741   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009848-3D
FYIcenter.com

 61 60  0  0  0  0  0  0  0  0999 V2000
    5.1118   -4.4825   -9.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2054   -4.0251   -8.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2332   -2.5052   -8.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3259   -2.0352   -7.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3316   -0.5153   -7.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -0.0349   -6.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4215    1.4847   -6.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5204    1.9281   -5.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5588    3.4112   -5.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4229    4.0154   -4.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-05-29, 1260👍, 0💬