Molecule FYI-1003141

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A

Molecule Summary:

ID: FYI-1003141
Names:
InChIKey: WEALIGPAXDOLFY-GSVOUGTGSA-N
SMILES: C[C@H]([C+]=O)C(=O)[O-]

Received at FYIcenter.com on: 2023-05-14

Molecule ID: FYI-1003141 Edit

Molecule Structure InChIKey: WEALIGPAXDOLFY-GSVOUGTGSA-N

Molecule Structure SMILES String: C[C@H]([C+]=O)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1003141
FYIcenter.com

  7  6  0  0  1  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003141-3D
FYIcenter.com

 11 10  0  0  1  0  0  0  0  0999 V2000
    3.0450   -1.5104    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740   -0.1241    0.0127 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0067   -0.1683    0.0110 C   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1678   -0.2404    0.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702    0.4597   -1.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544   -0.3668   -2.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.7213   -1.3241 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1403   -1.4880    0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211   -2.2440   -0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7202   -1.8793    1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    0.5402    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  2 11  1  1  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1324👍, 0💬