Molecule FYI-1006742

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A

Molecule Summary:

ID: FYI-1006742
Names:
InChIKey: RFDSJBMHTRDRBW-ZETCQYMHSA-N
SMILES: C=CCC[C@H](C)C=O

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006742 Edit

Molecule Structure InChIKey: RFDSJBMHTRDRBW-ZETCQYMHSA-N

Molecule Structure SMILES String: C=CCC[C@H](C)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006742
FYIcenter.com

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

Download SDF Structure in 3D SDF:

FYI-1006742-3D
FYIcenter.com

 20 19  0     1  0  0  0  0  0999 V2000
   -1.7289    1.7366   -0.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783   -0.5687    0.3636 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0569   -0.4835   -0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1438    0.2291    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1441   -1.6932   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0843    0.7167    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    0.2794   -0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940   -0.2164    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0956   -0.7724    1.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113   -1.4988   -0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796    0.0181   -1.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2753   -0.2789    1.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8331    1.2567    0.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3691   -1.5269   -1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0994   -1.7587    0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6408   -2.6610   -0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0452    0.6979    0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    0.7666   -1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5006   -0.1400   -0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6553   -0.7037    1.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

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2024-01-24, 197👍, 0💬