Molecule FYI-1007849

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A

Molecule Summary:

ID: FYI-1007849
Names:
InChIKey: OILAIQUEIWYQPH-UHFFFAOYSA-N
SMILES: O=C1CCCCC1=O

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007849 Edit

Molecule Structure InChIKey: OILAIQUEIWYQPH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007849
FYIcenter.com

  8  8  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  0  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
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   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  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007849-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -1.7480   -1.3262    0.1939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480    1.3262   -0.1938 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8216   -0.7233    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8218    0.7232   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080   -1.4651   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080    1.4651    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817   -0.7549    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817    0.7550   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8244   -0.7525    1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7351   -1.2245   -0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247    0.7524   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7352    1.2243    0.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5691   -2.4670    0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752   -1.5739   -1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5693    2.4669   -0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752    1.5743    1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  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  8  1  0  0  0  0
M  END
$$$$

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2024-03-23, 642👍, 0💬