Molecule FYI-1002427

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Molecule Summary:

ID: FYI-1002427
Names:
InChIKey: KLYCPFXDDDMZNQ-UHFFFAOYSA-N
SMILES: c1ccccc1

Received at FYIcenter.com on: 2023-03-19

Molecule ID: FYI-1002427 Edit

Molecule Structure InChIKey: KLYCPFXDDDMZNQ-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002427
FYIcenter.com

  6  6  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  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  2  0  0  0  0
  5  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002427-3D
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.3830   -0.2215    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070   -1.3068   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8716   -1.0904   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729    0.2109   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    1.2959    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8812    1.0796    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4568   -0.3902    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8978   -2.3209   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537   -1.9360   -0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4463    0.3793   -0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877    2.3101    0.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640    1.9252    0.0214 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  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  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 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-05, 1536👍, 0💬