Molecule FYI-1010793

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A

Molecule Summary:

ID: FYI-1010793
Names:
InChIKey: HFRYLPUSTLYKRR-UHFFFAOYSA-N
SMILES: O=C1CCOC(=O)c2cccc1c2

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010793 Edit

Molecule Structure InChIKey: HFRYLPUSTLYKRR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCOC(=O)c2cccc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010793
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.2102    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1633    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8969    2.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2399    2.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380    3.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2426    2.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4355    3.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3876    1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5456    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    4.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    4.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2520    3.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010793-3D
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2043    0.2441    0.6307 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5981    1.4191    0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378    2.5817    1.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7257    4.0102    0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8494    4.9408    0.7476 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558    5.0987   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597    6.1581   -0.7074 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    3.8406   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461    3.4352   -1.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412    2.0663   -1.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749    1.2149   -1.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    1.7326    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4504    2.9249    0.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9307    2.6511    2.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934    2.2142    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    3.9984   -0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0757    4.5319    1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    4.1593   -2.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3711    1.7047   -2.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687    0.2213   -1.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1933    3.2689    1.6166 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 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1776👍, 0💬