Molecule FYI-1003795

A

Molecule Summary:

ID: FYI-1003795
Names:
InChIKey: SJYHIHXHGJCNIS-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003795 Edit

Molecule Structure InChIKey: SJYHIHXHGJCNIS-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003795
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
    0.6072   13.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2038   11.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2038    7.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072    6.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014    4.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9739    3.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082    2.6797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9842    1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    1.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4677    0.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8223    0.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2139    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6129    0.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9896    0.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3146    0.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5597    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6983    2.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7062    3.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5618    4.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2470    5.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7471    6.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0516    8.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1538    9.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0516   10.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7471   12.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2470   13.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5618   14.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7062   15.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6983   16.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5597   17.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3146   18.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9896   18.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6129   19.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2139   19.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8223   19.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4677   18.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793   18.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9842   17.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082   16.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9739   15.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   14.2766    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
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 43  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003795-3D
FYIcenter.com

 87 87  0  0  0  0  0  0  0  0999 V2000
   18.5486   -0.1590  -14.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8498   -0.0850  -16.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1339   -0.1341  -17.9006 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2944   -0.0454  -19.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5128   -0.0584  -20.7241 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6482    0.0455  -22.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7947    0.0056  -22.8028 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9913    0.0621  -23.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7086    0.0229  -21.7536 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3802    0.0947  -21.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7503    0.0246  -20.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4014    0.0642  -20.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9951    0.1962  -19.4165 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6178    0.0896  -19.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1387   -0.0422  -18.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7369    0.1781  -18.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8781    0.3304  -16.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4041    0.6981  -17.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8611    0.9371  -15.7285 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4666    0.8709  -15.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1134    0.3748  -14.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7696    0.0989  -14.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4848    0.0853  -13.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1385    0.0792  -13.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7745    0.0807  -11.7557 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3774    0.2116  -11.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7395   -0.3235  -10.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3809   -0.6114  -10.8859 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0177   -0.4387   -9.5192 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0861    0.2171   -8.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1434   -0.2307   -7.6906 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    0.2262   -7.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3600    0.2129   -6.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0228    0.5535   -6.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7762    0.8692   -4.9141 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6501    0.1868   -4.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9412    0.2785   -3.5391 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9588   -0.0217   -4.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0955   -0.2059   -6.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5850   -0.1944   -8.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4573   -0.3309   -9.9497 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3981   -0.1923  -11.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4930   -0.1302  -13.2067 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2771   -0.2847  -13.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0660    0.6518  -13.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0404    0.6432  -16.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2754   -0.1678  -16.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7464   -0.6942  -19.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6155    0.7141  -20.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9204   -0.5229  -23.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9562    0.5973  -22.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.2113   -0.8378  -23.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887    1.0084  -23.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0788   -1.1189  -22.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0549    1.2873  -22.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0240   -1.0788  -21.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0477    1.1537  -21.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3794   -0.8876  -19.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2966    1.0500  -19.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4590   -0.7507  -18.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5063    1.0457  -18.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2317   -0.3740  -17.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8162    1.6149  -17.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3388   -0.3951  -15.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5562    1.8267  -16.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4424   -0.9273  -14.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2746    1.0011  -14.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8840   -0.9179  -13.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8130    1.0471  -13.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1610   -0.8477  -12.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9365    1.3241  -12.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0694   -1.6307  -11.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1158    0.4416  -11.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5453   -0.5648   -9.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9921    1.3257   -8.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4981   -0.7583   -7.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4904    1.1558   -7.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8504   -0.6591   -6.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3528    1.4416   -6.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4147   -1.0181   -5.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0985    1.1187   -5.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2120   -0.9540   -3.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1472    0.9586   -3.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1352   -0.5876   -7.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2137    0.4894   -7.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0675    0.4267  -10.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7279    0.3753  -10.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2 46  1  0  0  0  0
  2 47  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 52  1  0  0  0  0
  8 53  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 54  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 56  1  0  0  0  0
 12 57  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 58  1  0  0  0  0
 14 59  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 64  1  0  0  0  0
 20 65  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 66  1  0  0  0  0
 22 67  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 68  1  0  0  0  0
 24 69  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 74  1  0  0  0  0
 30 75  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 76  1  0  0  0  0
 32 77  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 78  1  0  0  0  0
 34 79  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 80  1  0  0  0  0
 36 81  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 82  1  0  0  0  0
 38 83  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 84  1  0  0  0  0
 40 85  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 86  1  0  0  0  0
 42 87  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2185👍, 0💬