Molecule FYI-1001946

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Molecule Summary:

ID: FYI-1001946
SMILES: O=C(C)Oc1ccccc1C(=O)O

Received at FYIcenter.com on: 2023-01-02

Molecule ID: FYI-1001946 Edit

Molecule Structure SMILES String: O=C(C)Oc1ccccc1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001946
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    0.0000 C   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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001946-3D
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.7711    1.3029   -0.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2968    0.3194    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    0.0395    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143   -0.7187    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4323   -0.7082    0.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1427    0.4924    1.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5327    0.4784    1.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2197   -0.7303    1.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5162   -1.9307    1.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1174   -1.9340    1.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4753   -3.2712    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0702   -4.2574    0.5014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153   -3.3328    1.3875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2755    0.9685    0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452   -0.3012    1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5427   -0.7011   -0.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    1.4572    1.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0805    1.4166    1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3013   -0.7389    1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0623   -2.8712    1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867   -2.4852    1.7450 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  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  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 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

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2023-01-30, 2162👍, 0💬