Molecule FYI-1007080

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A

Molecule Summary:

ID: FYI-1007080
Names:
InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
SMILES: O=Cc1ccccc1

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007080 Edit

Molecule Structure InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007080
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 O   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
    2.4249    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
    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
    1.2125    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  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007080-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    2.8466   -0.3870    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644    0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437    1.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013   -1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147    1.0393    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2698   -1.3354   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1777   -0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937    0.5050   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    2.3267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7902   -1.9194   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    1.8637    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6308   -2.3599   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2452   -0.4764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2986    1.5653   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

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2024-02-11, 815👍, 0💬