Molecule FYI-1003966

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Molecule Summary:

ID: FYI-1003966
Names:
InChIKey: NMGSDTSOSIPXTN-UHFFFAOYSA-N
SMILES: C=1=CCCCC1

Received at FYIcenter.com on: 2023-08-08

Molecule ID: FYI-1003966 Edit

Molecule Structure InChIKey: NMGSDTSOSIPXTN-UHFFFAOYSA-N

Molecule Structure SMILES String: C=1=CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003966
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  1  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  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003966-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -0.0001    1.4262   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180    0.7045    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181    0.7045    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -0.7941   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127   -0.7942   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -1.2469   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    2.4517    0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    1.5076   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171    0.9098    1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584    1.0997   -0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    1.0997   -0.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5169    0.9094    1.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0778   -1.4403    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0777   -1.4405    0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  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
M  END
$$$$

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2023-09-05, 2849👍, 0💬