Molecule FYI-1011436

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A

Molecule Summary:

ID: FYI-1011436
Names:
InChIKey: XUGNVMKQXJXZCD-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C

Received at FYIcenter.com on: 2024-08-08

Molecule ID: FYI-1011436 Edit

Molecule Structure InChIKey: XUGNVMKQXJXZCD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1011436
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011436-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    0.8521    0.0500    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715    0.0453    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9044   -0.9048   -1.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4288   -0.9139   -1.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9505   -1.8675   -2.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4731   -1.8783   -2.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9922   -2.8301   -3.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5145   -2.8409   -3.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0308   -3.7944   -4.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0639   -4.7648   -5.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6322   -5.7314   -6.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  8 38  1  0  0  0  0
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M  END
$$$$

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2024-08-14, 141👍, 0💬