Molecule FYI-1002628

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A

Molecule Summary:

ID: FYI-1002628
Names:
InChIKey: GRGXGQJHFFJQCL-UHFFFAOYSA-N
SMILES: Cc1ccc[c+](C)c1

Received at FYIcenter.com on: 2023-04-16

Molecule ID: FYI-1002628 Edit

Molecule Structure InChIKey: GRGXGQJHFFJQCL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc[c+](C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002628
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4250    1.4000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  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  2  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002628-3D
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9387    0.1047   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    0.0905   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1524    1.3579   -0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4885    1.4377   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2351    0.2367    0.2577 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5188   -1.0018    0.4950 C   0  3  0  0  0  0  0  0  0  0  0  0
    5.1772   -2.1139    1.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0836   -1.0453    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5267    1.1170   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4467   -0.4874    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6699   -0.3132   -1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786    2.2545   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0196    2.3755   -0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3050    0.2952    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565   -2.1356    1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7715   -3.0870    0.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128   -1.9890    2.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.9929    0.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2023-04-17, 261👍, 0💬