Molecule FYI-1012897

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Molecule Summary:

ID: FYI-1012897
Names:
InChIKey: WXMKPNITSTVMEF-UHFFFAOYSA-M
SMILES: O=C(O[Na])c1ccccc1

Received at FYIcenter.com on: 2024-10-24

Molecule ID: FYI-1012897 Edit

Molecule Structure InChIKey: WXMKPNITSTVMEF-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C(O[Na])c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012897
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012897-3D
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2469    0.5645    0.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648    0.0275   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7484   -1.0449    0.6534 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -1.7289    2.3010 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.5544   -1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    1.6870   -1.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1487    2.1818   -3.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3090    1.5531   -3.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8011    0.4275   -2.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1359   -0.0713   -1.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816    2.1913   -1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7684    3.0542   -3.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    1.9379   -4.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7003   -0.0590   -3.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5368   -0.9444   -1.1718 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  5  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$

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2024-11-05, 1615👍, 0💬