Molecule FYI-1003744

A

Molecule Summary:

ID: FYI-1003744
Names:
InChIKey: KHZAMZAEBBFMFS-UHFFFAOYSA-H
SMILES: O.O=C(O[La]1oc(=O)c(=O)o1)C(=O)O[La]2oc(=O)c(=O)o2

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

Molecule ID: FYI-1003744 Edit

Molecule Structure InChIKey: KHZAMZAEBBFMFS-UHFFFAOYSA-H

Molecule Structure SMILES String: O.O=C(O[La]1oc(=O)c(=O)o1)C(=O)O[La]2oc(=O)c(=O)o2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003744
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
    7.6003    6.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228    3.2870    0.0000 La  0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    1.1327    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
    1.5228    4.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9477    4.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5228    7.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9477    7.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9477    8.8870    0.0000 La  0  0  0  0  0  0  0  0  0  0  0  0
    5.0803    9.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6477   11.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706   12.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2477   11.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    9.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003744-3D
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.6834   -1.2261    1.2496 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.9728   -1.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    0.7082   -0.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225   -0.4682   -1.3162 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749   -1.0557   -0.4223 La  0  0  0  0  0  0  0  0  0  0  0  0
    6.9419   -2.4788   -0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8418   -2.0261    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8765   -2.6506    0.7911 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5814   -0.7738    1.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3986   -0.3907    2.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4439   -0.0595    1.2173 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905    1.6618   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2066    1.3841    0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593    2.8537    0.1974 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229    4.2421    1.6946 La  0  0  0  0  0  0  0  0  0  0  0  0
    5.4439    2.9811    2.8815 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7147    3.2994    2.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6457    2.7542    3.1188 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    4.3066    1.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1194    4.6057    1.1770 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9373    4.8977    0.8385 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.3400    1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039   -1.3153    0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$

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2023-08-03, 1395👍, 0💬