Molecule FYI-1003155

A

Molecule Summary:

ID: FYI-1003155
Names:
InChIKey: CEROECJMQGTJAI-UHFFFAOYSA-N
SMILES: O=S(=O)(c1ccc(O)cc1)c4cccc(Oc3cccc(S(=O)(=O)c2ccc(O)cc2)c3)c4

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003155 Edit

Molecule Structure InChIKey: CEROECJMQGTJAI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(c1ccc(O)cc1)c4cccc(Oc3cccc(S(=O)(=O)c2ccc(O)cc2)c3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003155
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    5.5497   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    2.4249    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 O   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  5  1  0  0  0  0
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 23 22  2  0  0  0  0
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 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
 32 21  2  0  0  0  0
 32 17  1  0  0  0  0
 33 15  2  0  0  0  0
 33 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003155-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
   -2.1733   -0.9908    0.7558 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366    0.3901    0.2456 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2409    3.4637   -0.0758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050   -1.7673    1.9657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -1.4263   -0.2010 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.7506    1.6564 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6093    0.4209   -0.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3813   -0.5859   -1.9800 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2699   -5.1560    0.0044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6683    0.6362    1.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2512    1.4244   -0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7180   -1.2697    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029    1.4191    0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1756    2.0327   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057    2.6993    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3086    2.8591   -0.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0365    1.1338    2.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598    1.6421   -2.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8738    3.1968    2.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    3.0770   -2.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6391    2.4140    2.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928    2.4684   -2.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1165   -2.1182   -0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5001   -1.0813    1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9468   -4.0750   -1.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2282   -0.4556   -2.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6488   -5.6001   -0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
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  2  6  2  0  0  0  0
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  3 16  1  0  0  0  0
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 25 29  1  0  0  0  0
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 30 32  1  0  0  0  0
 30 48  1  0  0  0  0
 31 33  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
$$$$

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2023-06-12, 2495👍, 0💬