Molecule FYI-1007676

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A

Molecule Summary:

ID: FYI-1007676
Names:
InChIKey: ULZRGXGFTLSVAD-UHFFFAOYSA-N
SMILES: CCC(C)CC(=O)C(C)CC

Received at FYIcenter.com on: 2024-03-11

Molecule ID: FYI-1007676 Edit

Molecule Structure InChIKey: ULZRGXGFTLSVAD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)CC(=O)C(C)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007676
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973    2.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5225    2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651    3.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    3.6823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1674    1.2130    0.0000 C   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  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007676-3D
FYIcenter.com

 31 30  0     1  0  0  0  0  0999 V2000
    0.7384    0.3860    1.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8594    0.2109    0.1594 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5571    0.3067   -0.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9200   -0.4469   -0.5502 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7071    0.1338    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0630    0.4477   -0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    0.0794    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -1.1466    0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550   -1.9691   -0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4081    0.4087   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    1.5894   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    0.9937    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648   -0.4611   -1.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4857    1.2835   -1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -0.1438   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540    1.4293   -1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0671   -0.2964   -1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3223   -0.1844    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0806   -0.4005   -0.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890   -1.3417    1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0180   -1.9637    0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8337   -1.1965    1.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897   -2.4278   -1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8946   -2.3073    0.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243   -2.3514   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2031    0.7161   -0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4204    1.0894    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6511   -0.5988    0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3580    1.9111    0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034    1.8897   -1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6157    2.1272    0.4570 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  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  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
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
M  END
$$$$

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2024-03-17, 968👍, 0💬