Molecule FYI-1011476

A

Molecule Summary:

ID: FYI-1011476
Names:
InChIKey: ITTQBASHHQKFFG-UHFFFAOYSA-N
SMILES: [O-2].[O-2].[O-2].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3]

Received at FYIcenter.com on: 2024-08-09

Molecule ID: FYI-1011476 Edit

Molecule Structure InChIKey: ITTQBASHHQKFFG-UHFFFAOYSA-N

Molecule Structure SMILES String: [O-2].[O-2].[O-2].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011476
FYIcenter.com

 19  9  0  0  0  0  0  0  0  0999 V2000
   10.6350    8.6614    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    9.1763    0.3891    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    9.9056    4.5252    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.9492    8.9122    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0493    7.8398    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.6706    8.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    6.5242    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3778    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2777    1.0725    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.6564    0.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7989    2.3881    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5457    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3156    3.0669    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5587    1.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881    3.9667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1634    4.4562    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    6.3138   10.9804    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   10.2703    6.5932    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    9.5410    2.4571    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011476-3D
FYIcenter.com

 19  9  0  0  0  0  0  0  0  0999 V2000
    0.3677    1.6023    0.8008 O   0  6  0  0  0  0  0  0  0  0  0  0
   -1.6426   -0.3976   -0.2629 O   0  6  0  0  0  0  0  0  0  0  0  0
   -0.9402    3.5510   -1.0594 O   0  6  0  0  0  0  0  0  0  0  0  0
    4.1150   -2.9139   -0.3656 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4589   -2.2268   -0.6219 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.0884   -1.7597    0.7634 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2377   -0.9598   -1.5582 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2104    1.3701   -2.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4819    2.2079   -2.2182 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.6573    1.2965   -2.7821 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9006    2.7993   -0.8016 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0974   -0.9274    0.8369 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -0.2354    1.9156 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.6628   -1.3360    2.8088 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0260    0.6971    1.2262 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0485    4.1802    2.6137 Al  0  1  0  0  0  0  0  0  0  0  0  0
   -0.7256   -1.4988    3.4235 Al  0  1  0  0  0  0  0  0  0  0  0  0
   -2.4556    2.5634    2.6038 Al  0  1  0  0  0  0  0  0  0  0  0  0
    1.5125   -2.1310   -2.8783 Al  0  1  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1541👍, 0💬