Molecule FYI-1006925

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A

Molecule Summary:

ID: FYI-1006925
Names:
InChIKey: PANBRUWVURLWGY-MDZDMXLPSA-N
SMILES: CCCCCCCC/C=C/C=O

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006925 Edit

Molecule Structure InChIKey: PANBRUWVURLWGY-MDZDMXLPSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C/C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006925
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
   12.1245    6.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    1.9125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.1125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006925-3D
FYIcenter.com

 32 31  0     0  0  0  0  0  0999 V2000
   -6.4323   -0.8821    0.4242 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7379   -0.1775   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    0.3733    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5523    0.7087    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171   -0.4603   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    0.1158   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6286    0.1057    0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580    0.9830    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8235   -0.7051   -0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2514    0.4192   -0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2518    0.0280    0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4861   -0.5085   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5974   -1.1794    0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609   -0.2962   -1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154    1.3850   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621    0.4810    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891    1.7109   -0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    0.8195    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1837   -1.4837    0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3734   -0.5268   -1.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8913   -0.8974    0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7397    0.0241   -1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6048    0.1089    1.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7477    1.1455    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382    1.9959   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803    1.0756    1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8928   -0.6955   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7510   -0.2861    0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7488   -1.7459    0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3535    0.3482   -1.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1939    0.0865    1.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5110   -0.5558   -1.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
M  END
$$$$

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2024-01-31, 257👍, 0💬