Molecule FYI-1003443

A

Molecule Summary:

ID: FYI-1003443
Names:
InChIKey: CWQGWAKCTBFURY-UHFFFAOYSA-J
SMILES: O.O.O.O.O=C3O[Mg]2(OC(=O)c1ccccc1O2)Oc4ccccc34

Received at FYIcenter.com on: 2023-06-19

Molecule ID: FYI-1003443 Edit

Molecule Structure InChIKey: CWQGWAKCTBFURY-UHFFFAOYSA-J

Molecule Structure SMILES String: O.O.O.O.O=C3O[Mg]2(OC(=O)c1ccccc1O2)Oc4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003443
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.5648    3.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8205    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0848    5.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5824    9.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    8.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5824    7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    5.8120    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    5.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824    4.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824    4.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    3.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824    2.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    0.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9824    2.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    3.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9824    4.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6824    5.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3824    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7825    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4825    8.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7825    9.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3824    9.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6824    8.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 18 17  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25  6  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003443-3D
FYIcenter.com

 41 40  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 O   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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Mg  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
    0.0000    0.0000    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
    0.0000    0.0000    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
    0.0000    0.0000    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
    0.0000    0.0000    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
    0.0000    0.0000    0.0000 O   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
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  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  6 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
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 23 24  2  0  0  0  0
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 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 2241👍, 0💬