Molecule FYI-1006428

A

Molecule Summary:

ID: FYI-1006428
Names:
InChIKey: QQISQVCIFCTSOB-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCC(CC)OC(=O)c1cc(F)cc(C(F)(F)F)c1

Received at FYIcenter.com on: 2023-12-16

Molecule ID: FYI-1006428 Edit

Molecule Structure InChIKey: QQISQVCIFCTSOB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCC(CC)OC(=O)c1cc(F)cc(C(F)(F)F)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006428
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
   21.8239    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    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
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0249    1.4000    0.0000 F   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
  2  1  1  0  0  0  0
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 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 29 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006428-3D
FYIcenter.com

 63 63  0  0  1  0  0  0  0  0999 V2000
    0.8771    0.3488    0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    0.3170    0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303   -1.0471    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -1.0911    0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4905   -2.4949    1.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6537   -8.3161    2.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1616   -9.6995    3.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6796   -8.3752    4.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8676   -8.5321    6.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3996   -8.5879    7.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8495   -7.7063    8.8929 F   0  0  0  0  0  0  0  0  0  0  0  0
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 29 63  1  0  0  0  0
M  END
$$$$

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2024-01-10, 1858👍, 0💬