Molecule FYI-1011481

A

Molecule Summary:

ID: FYI-1011481
Names:
InChIKey: UHWHMHPXHWHWPX-UHFFFAOYSA-J
SMILES: O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=[Ti+2].[K+].[K+]

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

Molecule ID: FYI-1011481 Edit

Molecule Structure InChIKey: UHWHMHPXHWHWPX-UHFFFAOYSA-J

Molecule Structure SMILES String: O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=[Ti+2].[K+].[K+]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011481
FYIcenter.com

 16 11  0  0  0  0  0  0  0  0999 V2000
    1.5588    4.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    4.9973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    2.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881    1.8187    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8743    4.5762    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3368    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366    0.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8156    3.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1943    3.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9157    4.1284    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9581    1.4973    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7186    7.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    6.1019    0.0000 Ti  0  2  0  0  0  0  0  0  0  0  0  0
    3.4381    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.3656    7.4610    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011481-3D
FYIcenter.com

 16 11  0  0  0  0  0  0  0  0999 V2000
    1.5131    1.8063   -1.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    1.5172   -1.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212    2.1003   -0.2953 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3714    0.5324   -2.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5349    0.2419   -1.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289   -0.0505   -3.2016 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3381   -1.1815    1.6045 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5576   -1.2225    1.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720   -0.3605    2.3182 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2493   -2.2112    0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6123   -3.0014    0.0469 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5949   -2.2492    0.6992 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2235   -2.2569   -0.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -1.0855   -1.1308 Ti  0  2  0  0  0  0  0  0  0  0  0  0
    0.8959    2.1689    1.8142 K   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6235   -0.1246   -3.1073 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 833👍, 0💬