Molecule FYI-1010921

A

Molecule Summary:

ID: FYI-1010921
Names:
InChIKey: BQGIGMHUCMNPDK-KHPPLWFESA-N
SMILES: C=C(C(=O)O)C(CCCCCC/C=C\\CCCCCCCC)C(=O)O

Received at FYIcenter.com on: 2024-07-18

Molecule ID: FYI-1010921 Edit

Molecule Structure InChIKey: BQGIGMHUCMNPDK-KHPPLWFESA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1010921
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   18.1866   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010921-3D
FYIcenter.com

 61 60  0  0  1  0  0  0  0  0999 V2000
    2.2215   -5.3537    3.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -5.7375    5.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2868   -7.1472    5.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9379   -7.6967    6.2977 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105   -7.7250    4.8632 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472   -4.8219    6.0186 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8967   -3.3150    5.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4050   -3.0268    6.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0622   -1.5630    5.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-08-14, 1635👍, 0💬