Molecule FYI-1002069

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A

Molecule Summary:

ID: FYI-1002069
Names:
InChIKey: KGEKLUUHTZCSIP-UHFFFAOYSA-N
SMILES: CC(=O)OC1CC2CCC1(C)C2(C)C

Received at FYIcenter.com on: 2023-01-25

Molecule ID: FYI-1002069 Edit

Molecule Structure InChIKey: KGEKLUUHTZCSIP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OC1CC2CCC1(C)C2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002069
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.9141    3.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    3.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    1.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510    3.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3686    3.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5024    2.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0045    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5826    0.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    1.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1496    1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6202    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002069-3D
FYIcenter.com

 34 35  0     1  0  0  0  0  0999 V2000
   -1.6591    0.5736   -0.1741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9550   -1.3336   -0.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8004    0.6872   -0.4352 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9104   -0.3863   -0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119   -0.9076    1.0632 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4959   -0.1774   -0.4755 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8111    1.4649    0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2199   -1.2555    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    0.3565    1.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447    1.6020   -1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0381   -1.4403   -1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    0.1607    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8322   -0.1313   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9704    0.7871    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -1.7368    1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286   -0.6270   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1293    1.9857    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6027    2.2221    0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398   -2.2543    0.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9287   -1.2538    1.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0074    0.5568    2.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742    0.2773    2.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8771    2.1740   -1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457    1.0333   -2.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176    2.3184   -1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245   -2.2380   -1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1024   -1.9279   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427   -0.9875   -2.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983    0.9454    0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020   -0.6450    0.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417    0.5820   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0642    1.5512   -0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041    1.2480    1.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9005    0.2129    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  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
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$

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2023-01-25, 2867👍, 0💬