Molecule FYI-1007078

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A

Molecule Summary:

ID: FYI-1007078
Names:
InChIKey: NGAZZOYFWWSOGK-UHFFFAOYSA-N
SMILES: CCCCC(=O)CC

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

Molecule ID: FYI-1007078 Edit

Molecule Structure InChIKey: NGAZZOYFWWSOGK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(=O)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007078
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007078-3D
FYIcenter.com

 22 21  0     0  0  0  0  0  0999 V2000
   -1.1526   -1.3112    0.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4193   -0.2313   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1999    0.6873    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7202    0.5695    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1120   -0.0820    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3702    0.7705    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   -0.3432    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408   -0.0595   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890   -0.8515   -0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3879   -0.9187    0.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259    1.3084    0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2039    1.3442   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7453    1.2013    0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7704    1.2359   -0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3586    1.3954    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421    1.4213   -0.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586   -0.9689   -0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9329   -0.9992    0.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8555    0.2503    0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5209    0.5908   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6799   -0.6910   -0.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7010   -0.7140    0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  3  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  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1641👍, 0💬