Molecule FYI-1001333

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A

Molecule Summary:

ID: FYI-1001333
SMILES: C1=CC=CC(C2=CC=CC=C2)=C1

Received at FYIcenter.com on: 2022-05-20

Molecule ID: FYI-1001333 Edit

Molecule Structure SMILES String: C1=CC=CC(C2=CC=CC=C2)=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001333
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   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
    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
    4.8498    2.1000    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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001333-3D
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3922   -0.2944   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5197   -1.3746   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8521   -1.1544   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499    0.1450    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4941    1.2543    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0183    2.6172    0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1795    2.8086    1.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6420    4.0856    1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    5.2110    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106    5.0550    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570    3.7754   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8907    1.0028    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666   -0.4581   -0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9122   -2.3857   -0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5373   -1.9929   -0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4297    0.2771    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7269    1.9543    1.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5344    4.1976    2.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2979    6.2041    1.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665    5.9313   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317    3.6936   -0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046    1.8154    0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  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
  5  6  1  0  0  0  0
  5 12  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 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

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2022-07-01, 1589👍, 0💬