Molecule FYI-1005483

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A

Molecule Summary:

ID: FYI-1005483
Names:
InChIKey: GQWYJDGCICYOIW-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)CCC4C2CC3CCCCC34

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005483 Edit

Molecule Structure InChIKey: GQWYJDGCICYOIW-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc2c(c1)CCC4C2CC3CCCCC34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005483
FYIcenter.com

 17 20  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    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
    2.4249    2.1000    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    3.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2825    2.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    4.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5360    5.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005483-3D
FYIcenter.com

 39 42  0  0  1  0  0  0  0  0999 V2000
    2.3591    0.5280   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -0.7976   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037   -1.3110   -0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322   -0.5244   -0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0544    0.8159   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2434    1.3376   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2075    1.6837    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5786    1.0113    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4947   -0.4857    0.5209 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5683   -1.2043   -0.4736 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5053   -1.4307   -1.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279   -2.0412   -0.9540 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.0273   -2.2441   -1.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2581   -1.4744   -1.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2959   -1.2978    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0758   -0.5055    0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8051   -1.2921    0.4014 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3554    0.9210   -0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549   -1.4454   -0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931   -2.3618   -1.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895    2.3666    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2286    2.6037   -0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0244    1.9766    1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9985    1.1527   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2493    1.5355    0.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0989   -0.5723    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3541   -2.1982   -0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -2.1166   -2.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7653   -0.5029   -2.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4006   -3.0671   -0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2873   -3.3097   -1.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8777   -2.0753   -2.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1658   -1.9959   -1.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2763   -0.4887   -1.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3216   -2.2697    0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2018   -0.7556    0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1306   -0.2696    1.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0868    0.4492    0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7604   -2.0775    1.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

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2023-11-06, 981👍, 0💬