Molecule FYI-1003803

A

Molecule Summary:

ID: FYI-1003803
Names:
InChIKey: ZDTVTUVLWXXTJO-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003803 Edit

Molecule Structure InChIKey: ZDTVTUVLWXXTJO-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003803
FYIcenter.com

 38 38  0  0  0  0  0  0  0  0999 V2000
    0.6850   11.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2304   10.5576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2304    6.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    5.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514    3.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    2.7356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2413    1.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4133    1.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0526    0.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4478    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8429    0.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4822    1.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542    1.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6842    2.7356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5441    3.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2105    5.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6650    6.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8955    7.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8955    9.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6650   10.5576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2105   11.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5441   13.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6842   14.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   15.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4822   15.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001   16.4942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8429   16.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4478   16.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0526   16.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954   16.4942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4133   15.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2413   15.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113   14.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514   13.1131    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
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 38  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003803-3D
FYIcenter.com

 76 76  0  0  0  0  0  0  0  0999 V2000
   15.7434   -5.8955   10.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8736   -6.7881   11.6968 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8063   -7.6283   13.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9252   -8.4359   13.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0514   -8.9031   14.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0005   -9.5834   15.9732 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9407  -10.4187   16.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6367  -12.0191   17.3471 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7534  -12.6979   16.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6694  -12.0122   15.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3230  -11.6958   14.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7044  -10.6699   13.6636 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5681   -9.9404   13.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1067   -9.0822   12.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6846   -8.9487   12.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1997   -8.5370   11.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8840   -8.2012   11.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7236   -7.4815   10.0581 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3736   -7.4095   10.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9648   -6.5913    9.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6528   -6.9234    9.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1835   -6.0866    8.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8604   -6.2875    8.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0570   -5.6914    7.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7124   -6.1170    7.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8519   -5.3966    6.8079 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5508   -5.7792    6.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4083   -4.5311    5.9434 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1905   -3.9575    5.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0100   -3.1977    4.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6039   -3.0885    3.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3181   -2.5835    2.6849 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9425   -2.3506    2.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076   -2.2951    4.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1412   -3.2662    5.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9226   -3.5681    7.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8314   -4.2407    8.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6989   -5.1502    9.5129 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9559   -4.8860    9.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7091   -6.0169    9.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1038   -7.2545   13.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3058   -8.9469   12.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6456  -10.0690   15.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2746   -9.6530   14.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1842  -10.4882   17.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2502  -11.2946   16.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4447  -11.9296   17.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6407  -13.1954   16.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5488  -11.5389   15.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2343  -12.7776   14.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6358   -8.9195   13.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9710  -10.8657   13.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4066   -8.0083   12.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2547   -9.9628   12.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5422   -7.2648   11.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3656   -9.2516   11.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0103   -6.9242   10.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9591   -8.4245   10.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2628   -6.6097    9.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2424   -7.9685    8.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1130   -5.6879    9.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3344   -7.3292    8.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4632   -6.4516    8.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4453   -7.0845    7.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2084   -6.0185    8.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8365   -6.4395    6.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1087   -3.0514    6.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5532   -4.8518    5.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3627   -2.2224    4.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9163   -4.1075    4.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1269   -1.3902    3.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3856   -3.3104    2.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2055   -2.1037    5.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1330   -3.6534    4.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8958   -4.5372    7.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0466   -5.1775    7.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 41  1  0  0  0  0
  3 42  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  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  1  0  0  0  0
 19 20  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 3546👍, 0💬