Molecule FYI-1003743

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A

Molecule Summary:

ID: FYI-1003743
Names:
InChIKey: PNYPSKHTTCTAMD-UHFFFAOYSA-K
SMILES: O.O.O.O.O.O.Cl[Gd](Cl)Cl

Received at FYIcenter.com on: 2023-07-24

Molecule ID: FYI-1003743 Edit

Molecule Structure InChIKey: PNYPSKHTTCTAMD-UHFFFAOYSA-K

Molecule Structure SMILES String: O.O.O.O.O.O.Cl[Gd](Cl)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003743
FYIcenter.com

 10  3  0  0  0  0  0  0  0  0999 V2000
    0.2575    3.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7113    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4539    5.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242    6.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9739    3.2642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8073    2.9653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4286    3.2084    0.0000 Gd  0  0  0  0  0  0  0  0  0  0  0  0
    2.9497    4.5240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5287    2.1360    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003743-3D
FYIcenter.com

 22 15  0  0  0  0  0  0  0  0999 V2000
    2.7831    3.7880    0.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679   -0.4286   -1.5022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590   -1.0923    0.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229   -2.9646   -0.3255 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361    2.2313   -2.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6395   -3.2866    2.6868 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3723    1.0001    1.4804 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9640    0.9899    1.1117 Gd  0  0  0  0  0  0  0  0  0  0  0  0
    5.3447   -0.7005    2.5449 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    1.7724   -1.1624 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8603    3.5792    1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    3.5315   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220   -0.5564   -0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6973   -0.2855   -1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -0.5989   -0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1436   -0.7790    1.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080   -3.0449   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2732   -2.1693    0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9904    2.2091   -2.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    1.9210   -1.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -3.2291    2.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210   -2.3527    2.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-03, 885👍, 0💬