Molecule FYI-1003806

A

Molecule Summary:

ID: FYI-1003806
Names:
InChIKey: ZMJOVMHVNOYQTL-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003806 Edit

Molecule Structure InChIKey: ZMJOVMHVNOYQTL-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003806
FYIcenter.com

 44 44  0  0  0  0  0  0  0  0999 V2000
    0.5936   13.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992   11.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992    7.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5936    6.3582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1753    5.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321    3.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    2.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    1.9321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0848    1.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    0.5936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7015    0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0873    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4873    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8730    0.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2163    0.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4899    1.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6675    1.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7257    2.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6424    3.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3994    5.0848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9809    6.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3753    7.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5745    9.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5745   10.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3753   11.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9809   13.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3994   14.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6424   15.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7257   16.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6675   17.6424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4899   18.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2163   18.9809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8730   19.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4873   19.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0873   19.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7015   19.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   18.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0848   18.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070   17.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490   16.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321   15.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1753   14.4897    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
 44 43  1  0  0  0  0
 44  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003806-3D
FYIcenter.com

 88 88  0  0  0  0  0  0  0  0999 V2000
 -222.4522   64.8503  145.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
 -224.6591   65.6047  143.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
 -226.9162   66.3161  142.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
 -229.2221   66.9852  140.5663 O   0  0  0  0  0  0  0  0  0  0  0  0
 -231.4669   67.7105  139.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
 -233.5632   68.2528  137.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
 -235.6031   69.0025  136.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
 -237.3315   69.2051  134.8278 O   0  0  0  0  0  0  0  0  0  0  0  0
 -237.5042   70.0982  136.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
 -237.0701   71.2803  136.6393 O   0  0  0  0  0  0  0  0  0  0  0  0
 -235.7014   71.1650  137.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
 -234.8863   71.0873  138.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
 -234.6405   69.9645  139.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
 -233.3561   69.9810  139.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
 -233.2333   68.9656  140.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
 -231.8686   69.4217  140.7228 O   0  0  0  0  0  0  0  0  0  0  0  0
 -231.0878   68.7208  141.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
 -229.7499   68.9133  142.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
 -229.0918   67.9507  142.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
 -227.9822   67.5781  143.8577 O   0  0  0  0  0  0  0  0  0  0  0  0
 -227.1132   66.0609  144.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
 -226.9097   64.6024  144.4519 O   0  0  0  0  0  0  0  0  0  0  0  0
 -225.6319   64.1005  144.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
 -225.3853   65.4942  145.9751 O   0  0  0  0  0  0  0  0  0  0  0  0
 -224.1310   65.3585  146.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
 -223.5086   65.9249  147.3764 O   0  0  0  0  0  0  0  0  0  0  0  0
 -223.5358   64.8828  148.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
 -222.2473   65.1504  148.7798 O   0  0  0  0  0  0  0  0  0  0  0  0
 -221.8475   63.7237  148.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
 -220.6793   64.2877  149.6779 O   0  0  0  0  0  0  0  0  0  0  0  0
 -219.8938   63.0672  150.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
 -218.7306   63.6926  151.0695 O   0  0  0  0  0  0  0  0  0  0  0  0
 -218.2601   62.7394  152.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
 -216.9512   62.7900  152.5946 O   0  0  0  0  0  0  0  0  0  0  0  0
 -216.2855   61.2555  152.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
 -215.7484   62.3565  153.6619 O   0  0  0  0  0  0  0  0  0  0  0  0
 -214.4251   63.0367  154.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
 -213.4526   62.1826  155.7615 O   0  0  0  0  0  0  0  0  0  0  0  0
 -211.9359   61.5319  155.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
 -212.9073   62.2599  154.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
 -214.3936   62.1406  152.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
 -216.1984   63.0211  150.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
 -218.2597   63.5201  148.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
 -220.2815   64.1609  147.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
 -221.4681   65.0196  146.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
 -221.9646   64.6739  147.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
 -228.3868   66.9551  141.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
 -228.0915   67.3296  141.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
 -232.8031   68.6326  138.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
 -233.1186   68.2814  138.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
 -237.2863   69.2452  135.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
 -236.7494   69.9268  134.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
 -237.7040   71.2495  135.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
 -238.5349   69.0319  136.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
 -235.8684   72.0710  137.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
 -235.0163   71.2662  136.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
 -235.2938   68.9275  138.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
 -234.8368   70.1837  140.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
 -233.5200   68.1294  140.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
 -234.2015   68.8574  141.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
 -231.8641   68.1303  142.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
 -230.7454   69.6383  142.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
 -228.0317   68.7843  142.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
 -229.5400   66.6164  142.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
 -226.3364   66.7756  144.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
 -226.6851   65.4611  143.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
 -226.1662   63.4391  145.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
 -225.5418   63.9246  143.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
 -223.4275   66.1463  146.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
 -223.9399   64.6427  145.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
 -224.5911   65.1153  148.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
 -223.4608   63.6825  147.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
 -221.5601   63.1621  147.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
 -221.4055   62.7691  148.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
 -219.7718   62.9383  151.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
 -220.5068   61.9788  150.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
 -218.3974   63.2837  153.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
 -218.4750   61.6668  152.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
 -215.1577   60.8303  151.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
 -216.9685   60.5397  153.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
 -215.0475   63.6628  154.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
 -213.6394   63.6435  153.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
 -210.9116   62.2616  156.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
 -211.0895   61.5767  154.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
 -212.9126   61.2980  153.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
 -213.2782   61.1551  153.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
 -217.1906   62.7123  150.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
 -217.4233   62.7817  150.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 47  1  0  0  0  0
  3 48  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 49  1  0  0  0  0
  5 50  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 51  1  0  0  0  0
  7 52  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 53  1  0  0  0  0
  9 54  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 55  1  0  0  0  0
 11 56  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 57  1  0  0  0  0
 13 58  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 61  1  0  0  0  0
 17 62  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 77  1  0  0  0  0
 33 78  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 81  1  0  0  0  0
 37 82  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 83  1  0  0  0  0
 39 84  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 85  1  0  0  0  0
 41 86  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 87  1  0  0  0  0
 43 88  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1767👍, 0💬