Molecule FYI-1006881

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Molecule Summary:

ID: FYI-1006881
Names:
InChIKey: HPEUJPJOZXNMSJ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC

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

Molecule ID: FYI-1006881 Edit

Molecule Structure InChIKey: HPEUJPJOZXNMSJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006881
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    2.6151    2.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7588    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1445    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3731    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5300    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9874    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9157    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6019    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3014    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2162    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6871    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8306    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0726    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4449    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4583    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0594    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6737    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0008    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5017    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0160    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4015    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8873    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6303    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1160    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2730    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7872    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7305    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2446    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1729    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6585    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8589    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3448    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0442    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5584    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9591    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4734    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9440    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4299    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0877    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5734    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8156    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3297    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1879    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7020    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7154    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2011    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3163    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8022    0.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5868    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1011    3.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.2515    1.7953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.6745    3.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0958    3.7970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4230    2.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5787    0.8633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 16  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 19  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 20  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006881-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    1.0112    0.0181   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5278    0.0219   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0539    1.2038    0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5747    1.2119    0.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0882    2.3967    1.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6070    2.4018    1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1197    3.5861    2.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    3.5901    2.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1495    4.7732    3.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6676    4.7787    3.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1802    5.9610    3.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6994    5.9679    3.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2125    7.1519    4.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7331    7.1654    4.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2536    8.3518    5.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7787    8.3552    5.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3508    9.5256    6.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8601    9.4782    6.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5266    8.6257    5.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3856   10.5170    7.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8134   10.5197    7.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6369   -0.8315   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238    0.9382   -0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191   -0.0573    0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9003    0.0747   -1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   -0.9161    0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    1.1511    1.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829    2.1421    0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542    1.2681   -0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517    0.2784    1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    2.3442    2.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156    3.3327    1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860    2.4545    0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814    1.4677    1.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7433    3.5335    3.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7459    4.5211    1.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148    3.6443    1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    2.6549    2.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    4.7180    4.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    5.7083    2.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0427    4.8348    2.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0427    3.8425    3.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8018    5.9045    4.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8040    6.8960    3.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0752    6.0226    2.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0729    5.0311    4.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8320    7.0937    5.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8344    8.0855    4.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1088    7.2188    3.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1065    6.2279    5.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8759    8.2933    6.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8782    9.2855    5.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1430    8.3976    4.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1407    7.4097    5.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0155    9.4697    7.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0178   10.4728    5.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1579   11.3762    7.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2011   10.6207    6.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1990    9.6071    7.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
M  END
$$$$

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2024-01-31, 2398👍, 0💬