Molecule FYI-1000186

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A

Molecule Summary:

ID: FYI-1000186
SMILES: CCC/C=C/C=O

Received at FYIcenter.com on: 2020-11-09

Molecule ID: FYI-1000186 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1000186
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    3.6134   -0.2885   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2544    0.3921   -0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430   -0.2332    0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.4371    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791   -0.2950    0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4783    0.3556   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4633   -0.3100   -0.2934 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9573   -0.1546    0.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -1.3528   -0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339    0.1569   -0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506    1.4563   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9105    0.2581   -1.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1467   -1.2975    0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5869   -0.0993    1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1782    1.5100    0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -1.3679    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5609    1.4284    0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000186-3D
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    0.9353    0.0541   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4564    0.0627   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963    1.2930   -0.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4988    1.3257   -0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1937    2.3317   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3520   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2981    3.2742    0.2475 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606   -0.8300    0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421    0.0363   -1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5398    0.9419    0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8209   -0.8525   -0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181    0.0486    0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962    2.1982   -0.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    1.2968   -1.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0068    0.4948   -1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7180    3.1784    0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1655    1.4983   -0.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-12-02, 700👍, 0💬