Molecule FYI-1007273

A

Molecule Summary:

ID: FYI-1007273
Names:
InChIKey: DUOMEYSOEAFDIH-UHFFFAOYSA-N
SMILES: CC(CCCC(C)c1ccc(C(C)(C)C)cc1)CC(C)c2ccc(S(=O)(=O)O)cc2

Received at FYIcenter.com on: 2024-02-13

Molecule ID: FYI-1007273 Edit

Molecule Structure InChIKey: DUOMEYSOEAFDIH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(CCCC(C)c1ccc(C(C)(C)C)cc1)CC(C)c2ccc(S(=O)(=O)O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007273
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1245    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5493    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9369    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
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  7  6  1  0  0  0  0
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 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  2  0  0  0  0
 30 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007273-3D
FYIcenter.com

 68 69  0  0  1  0  0  0  0  0999 V2000
    2.9069   -0.9977   -1.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360    0.0307   -0.1628 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.6605    1.6028    6.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-04-14, 895👍, 0💬