Molecule FYI-1003878

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Molecule Summary:

ID: FYI-1003878
Names:
InChIKey: YQZBFMJOASEONC-UHFFFAOYSA-N
SMILES: CCCc1ccccc1C

Received at FYIcenter.com on: 2023-08-02

Molecule ID: FYI-1003878 Edit

Molecule Structure InChIKey: YQZBFMJOASEONC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc1ccccc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003878
FYIcenter.com

 10 10  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
    1.2127    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
    2.4252    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    6.2998    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
  4  7  1  1  0  0  0
  5  8  1  1  0  0  0
  7  9  1  1  0  0  0
  9 10  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003878-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    1.5043    0.2166   -0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0506    0.2190   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    0.3201    0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297   -0.9726   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    1.4363   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8716    0.2831    0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876   -0.9470    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0745   -2.2880   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9849    1.4621    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6651    0.2705    0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7731   -0.6688   -1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205    1.0630   -1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778    1.2541    1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1753   -0.4951    1.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1096    2.3729   -0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1312   -0.6561   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1361    1.1110   -0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4805    0.3668    1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5332   -1.8659    0.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3912   -2.5042   -1.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9416   -2.3113    0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809   -3.1092    0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    2.4100    0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7224    0.2907    0.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  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 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2523👍, 0💬