Molecule FYI-1011349

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Molecule Summary:

ID: FYI-1011349
Names:
InChIKey: BNANPEQZOWHZKY-UHFFFAOYSA-N
SMILES: c2ccc(c1ccoc1)cc2

Received at FYIcenter.com on: 2024-08-05

Molecule ID: FYI-1011349 Edit

Molecule Structure InChIKey: BNANPEQZOWHZKY-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(c1ccoc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011349
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    5.8530    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011349-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    3.1017    0.7421   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4300   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0054   -0.0579    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1018    1.1950    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1530   -1.2205   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957   -1.1546    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7839    1.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963    1.2247    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476   -1.1908   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192    0.0318   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1611   -0.6156   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5898    2.1522    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -2.1910   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -2.2113    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966    2.1378   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201    2.1762    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1111   -2.1194   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3050    0.0548   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545   -1.0398   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 11  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1278👍, 0💬