Molecule FYI-1007489

A

Molecule Summary:

ID: FYI-1007489
Names:
InChIKey: SVJAEXQJBRIWFT-UHFFFAOYSA-H
SMILES: O=C1O[Fe]23(OC1=O)(OC(=O)C(=O)O2)OC(=O)C(=O)O3

Received at FYIcenter.com on: 2024-02-25

Molecule ID: FYI-1007489 Edit

Molecule Structure InChIKey: SVJAEXQJBRIWFT-UHFFFAOYSA-H

Molecule Structure SMILES String: O=C1O[Fe]23(OC1=O)(OC(=O)C(=O)O2)OC(=O)C(=O)O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007489
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.5706    5.3965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706    3.9965    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.4668    5.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    3.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    2.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843    6.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430    5.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857    7.9215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9359    5.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0057    4.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820    3.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120    2.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3407    2.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3779    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7401    2.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162    5.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  4 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 11 19  1  0  0  0  0
  2 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007489-3D
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.0439   -0.3868    1.0172 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410   -0.3180    0.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0003   -1.4101    0.4989 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585   -0.7897   -0.5453 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.2232    0.8329    0.3832 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9528    0.9557    0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598    2.0462    0.9919 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5387   -1.2439    0.4531 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684   -2.1986   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260   -2.4814    0.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8605   -2.8414   -1.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4971   -3.6159   -1.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6394   -2.4289   -1.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7430    0.0336   -1.6635 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136    0.7669   -2.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    1.5331   -3.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6507    0.5882   -2.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884    1.1598   -3.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -0.2057   -1.8293 O   0  0  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  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1933👍, 0💬