Molecule FYI-1010527

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A

Molecule Summary:

ID: FYI-1010527
Names:
InChIKey: ZWEBPRGPCAJEGV-UHFFFAOYSA-N
SMILES: Cc1ccccc1C

Received at FYIcenter.com on: 2024-06-14

Molecule ID: FYI-1010527 Edit

Molecule Structure InChIKey: ZWEBPRGPCAJEGV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010527
FYIcenter.com

  8  8  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
    0.0390    3.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6070    2.8500    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  2  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  0  0  0  0
  5  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010527-3D
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.8642    1.5064   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885    0.7095    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6426    1.3846    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8444    0.6767    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -0.7135   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160   -1.3981   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021   -0.6999    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8927   -1.4721    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660    2.5835   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    1.2736   -0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    1.2870    0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6734    2.4718    0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7902    1.2124    0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7661   -1.2670   -0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259   -2.4859   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -2.5529    0.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4691   -1.2321    0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4866   -1.2378   -0.8730 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  7  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  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2024-06-30, 1120👍, 0💬