Molecule FYI-1002481

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A

Molecule Summary:

ID: FYI-1002481
Names:
InChIKey: MINSDICDGGXNDU-UHFFFAOYSA-N
SMILES: C=[c+2]1ccccc1

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

Molecule ID: FYI-1002481 Edit

Molecule Structure InChIKey: MINSDICDGGXNDU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=[c+2]1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002481
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    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
    1.2124    0.0000    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
    2.4249    2.1000    0.0000 C   0  2  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228    3.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  2  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002481-3D
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.9957   -0.0249   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3363   -0.0375    0.0056 C   0  2  0  0  0  0  0  0  0  0  0  0
    3.1013    1.1982    0.1302 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.5506    1.1691    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1762   -0.0148   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301   -1.2656   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830   -1.2902   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4346    0.9014    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4176   -0.9381   -0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6016    2.1459    0.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970    2.1039    0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2589   -0.0687   -0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9991   -2.1870   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5447   -2.2311   -0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$

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2023-04-26, 2681👍, 0💬