Molecule FYI-1007016

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A

Molecule Summary:

ID: FYI-1007016
Names:
InChIKey: ILNDSSCEZZFNGE-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cccc(C(C)(C)C)c1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007016 Edit

Molecule Structure InChIKey: ILNDSSCEZZFNGE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c1cccc(C(C)(C)C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007016
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    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
    1.2125    4.2000    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    3.5000    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007016-3D
FYIcenter.com

 36 36  0     0  0  0  0  0  0999 V2000
   -2.5084   -0.5165   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1811    0.2599    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    0.2509    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0088   -0.4537    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3228   -0.1517   -1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3260   -0.1490    1.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3343   -2.0521    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3435   -0.1340    1.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429   -0.1334   -1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -2.0473   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290    1.6316    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254    2.3361   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010   -1.5317    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2561   -0.7252   -1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5997    0.9078   -1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7549   -0.3667   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6036    0.9104    1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592   -0.7228    1.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7602   -0.3617    2.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111   -2.5522    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8044   -2.4082   -0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055   -2.4059    0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840   -0.6969    1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033    0.9298    1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951   -0.3694    2.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    0.9303   -1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833   -0.6965   -1.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938   -0.3681   -2.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3680   -2.5152   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8523   -2.4131    0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -2.4125   -0.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1591    2.1894   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090    2.2196   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0318    3.4222   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
$$$$

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2024-02-11, 240👍, 0💬