Molecule FYI-1003791

A

Molecule Summary:

ID: FYI-1003791
Names:
InChIKey: HWNSUBBIUIBFCM-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Received at FYIcenter.com on: 2023-07-26

Molecule ID: FYI-1003791 Edit

Molecule Structure InChIKey: HWNSUBBIUIBFCM-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003791
FYIcenter.com

 35 35  0  0  0  0  0  0  0  0999 V2000
    0.7419   11.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    9.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    5.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7419    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4599    3.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    1.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7085    0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400    0.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4273    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8259    0.0629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1907    0.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4782    0.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6465    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6584    2.6634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4813    3.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0888    5.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4612    6.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5868    7.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4612    9.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0888   10.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4813   11.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6584   12.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6465   13.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4782   14.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1907   15.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8259   15.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4273   15.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400   15.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7085   14.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756   14.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811   13.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4599   12.3913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 35  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003791-3D
FYIcenter.com

 71 71  0  0  0  0  0  0  0  0999 V2000
   15.0952   -6.6653  -10.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1474   -7.3416  -11.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0070   -8.1262  -12.7903 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7368   -8.7747  -14.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6794   -9.1601  -14.8469 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4001  -10.1158  -15.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3147   -9.7281  -15.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4991   -9.4448  -14.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1249   -8.7216  -13.7806 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7545   -8.8190  -13.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2492   -8.1717  -12.8310 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8872   -8.2435  -12.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4411   -7.5287  -11.8393 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0711   -7.5288  -11.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6200   -6.8633  -10.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2374   -6.8936  -10.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7452   -6.2205   -9.8094 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3719   -6.2178   -9.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0128   -5.5342   -8.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6313   -5.4922   -8.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1249   -4.8070   -7.6194 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7219   -4.8083   -7.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3195   -4.1174   -6.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9291   -4.0794   -6.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5695   -3.3900   -5.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1872   -3.3076   -5.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9271   -2.5834   -4.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5943   -2.5215   -4.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1908   -1.8275   -2.9693 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8177   -1.9862   -3.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5012   -2.6915   -4.5306 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3429   -3.7677   -5.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9804   -4.3445   -7.0175 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3814   -5.2868   -8.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2961   -5.8098   -9.5171 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1296   -7.1760   -9.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2040   -5.5935  -10.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7585   -6.4620  -11.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5362   -8.0944  -11.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4452   -9.5820  -13.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3377   -7.8104  -14.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0928  -11.1236  -15.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0533   -9.5272  -16.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0200  -10.3604  -14.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1392   -8.7297  -15.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4784   -9.9175  -13.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4479   -8.2814  -14.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5657   -9.2993  -12.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5474   -7.6881  -13.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7128   -8.5688  -11.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7493   -7.0065  -12.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9306   -7.9477  -10.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9633   -6.3444  -11.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9449   -7.2384   -9.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9547   -5.6153  -10.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3412   -6.5476   -8.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4037   -4.9427   -9.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3493   -5.8435   -7.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3706   -4.2484   -8.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5621   -5.1105   -6.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5700   -3.5428   -7.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7714   -4.3325   -5.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8201   -2.7150   -6.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1864   -3.5821   -3.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1901   -1.9417   -4.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4416   -2.4757   -2.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479   -0.9085   -3.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6617   -4.4572   -5.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5783   -2.7283   -6.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1384   -5.9562   -7.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0871   -4.1802   -8.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 70  1  0  0  0  0
 34 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1399👍, 0💬