Molecule FYI-1000383

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Molecule Summary:

ID: FYI-1000383
SMILES: O=c1c(O)c(O)c1=O

Received at FYIcenter.com on: 2021-04-30

Molecule ID: FYI-1000383 Edit

Molecule Structure SMILES String: O=c1c(O)c(O)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000383
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4988    1.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0988    2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0988    1.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6135    3.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089    0.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3777    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  2  0  0  0  0
  1  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000383-3D
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.0604   -0.0364    0.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2644   -0.0310    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3619   -1.0209    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4197   -2.3022    0.0948 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -0.0410    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5988   -0.0593    0.1092 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2979    1.0338    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262    2.2372    0.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093   -2.6613    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985   -0.9891    0.1107 H   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  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
$$$$

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2021-10-10, 2668👍, 0💬