Molecule FYI-1007919

A

Molecule Summary:

ID: FYI-1007919
Names:
InChIKey: QMKYBPDZANOJGF-UHFFFAOYSA-K
SMILES: O=C([O-])c1cc(C(=O)[O-])cc(C(=O)[O-])c1

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007919 Edit

Molecule Structure InChIKey: QMKYBPDZANOJGF-UHFFFAOYSA-K

Molecule Structure SMILES String: O=C([O-])c1cc(C(=O)[O-])cc(C(=O)[O-])c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007919
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    6.2997    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007919-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -3.3525    1.4805    0.0003 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3939   -3.6434    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1291    3.4864   -0.0003 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5840   -0.7655   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548   -2.7211   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9585    2.1629   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3876    0.1431    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699   -1.2732    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177    1.1301    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8175   -1.1300    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5699    1.2733    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -0.1431    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517    0.2940   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1712   -2.6166   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6805    2.3225   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -2.0106   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140    2.2653    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686   -0.2545    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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