Molecule FYI-1003804

A

Molecule Summary:

ID: FYI-1003804
Names:
InChIKey: WLCUBQRZQXICMD-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003804 Edit

Molecule Structure InChIKey: WLCUBQRZQXICMD-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003804
FYIcenter.com

 40 40  0  0  0  0  0  0  0  0999 V2000
    0.6517   12.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190   10.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    6.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517    5.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872    4.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    3.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327    1.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4801    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8115    0.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1943    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9771    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3085    0.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5560    1.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6886    2.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6785    3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5015    4.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1371    5.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5697    6.8115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7886    8.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7886    9.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5697   10.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1371   12.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5015   13.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6785   14.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6886   15.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5560   16.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3085   17.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9771   17.5697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5943   17.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1943   17.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8115   17.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4801   17.1371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327   16.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   15.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101   14.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872   13.5560    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
 40  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003804-3D
FYIcenter.com

 80 80  0     0  0  0  0  0  0999 V2000
    1.7488   -1.4392    1.6319 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0213   -1.4543    1.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5865   -1.3927    2.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4847    0.3996    0.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535   -3.7339    2.1467 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121    0.4739   -1.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023   -3.3391   -0.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    2.4416    0.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8433   -2.6558   -1.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7257    3.9724   -0.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -1.4284   -3.3465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    3.7458    0.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4855   -0.1476   -1.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3823    2.1678    1.8961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901    0.7160   -2.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6757    1.8643    2.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8171    1.6318   -2.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379   -0.0653    1.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1253   -0.6109   -1.9978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0721   -1.3571    0.0837 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0001   -0.8023    1.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6681   -0.7574    2.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3055   -0.8661    1.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7429   -2.6212    2.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3603    0.3330   -0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5819   -4.1329    0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    1.8384   -1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2303   -3.6881   -0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053    3.8055   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229   -2.6591   -2.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8687    3.6331    0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7624   -0.4212   -3.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031    3.5191    1.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4068    0.9547   -1.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3394    1.9365    2.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671    1.8274   -2.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0903    0.5331    2.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6679    0.7052   -2.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8162   -1.3770    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -1.5497   -1.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332   -0.8713    2.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397    0.2483    1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8372   -0.6623    3.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5990    0.2478    1.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0581   -1.5658    0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030   -0.7411    2.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -2.5040    3.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8131   -2.8492    2.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9865    1.1203   -1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7461   -0.6220   -1.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3155   -5.1831    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761   -4.0789    0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2569    2.4054   -1.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5881    1.8434   -1.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   -4.6338   -1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8471   -3.8186    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3176    4.2707    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7005    4.3408   -0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9649   -3.4561   -3.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3475   -2.8559   -2.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0682    2.6027    1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    4.3208    1.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1382    0.4865   -3.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518   -0.7358   -3.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4043    3.7560    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703    4.2056    2.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5218    1.1017   -0.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444    1.8554   -2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2900    2.7446    3.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644    1.0120    3.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346    2.0238   -0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1085    2.7149   -2.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1413    0.5975    1.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0308   -0.0815    3.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8580    1.0650   -0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6190    0.6915   -2.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9358   -1.9537    1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0507   -1.8838    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9651   -1.5254   -1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5557   -2.5518   -1.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 23  1  0  0  0  0
  4 25  1  0  0  0  0
  5 24  1  0  0  0  0
  5 26  1  0  0  0  0
  6 25  1  0  0  0  0
  6 27  1  0  0  0  0
  7 26  1  0  0  0  0
  7 28  1  0  0  0  0
  8 27  1  0  0  0  0
  8 29  1  0  0  0  0
  9 28  1  0  0  0  0
  9 30  1  0  0  0  0
 10 29  1  0  0  0  0
 10 31  1  0  0  0  0
 11 30  1  0  0  0  0
 11 32  1  0  0  0  0
 12 31  1  0  0  0  0
 12 33  1  0  0  0  0
 13 32  1  0  0  0  0
 13 34  1  0  0  0  0
 14 33  1  0  0  0  0
 14 35  1  0  0  0  0
 15 34  1  0  0  0  0
 15 36  1  0  0  0  0
 16 35  1  0  0  0  0
 16 37  1  0  0  0  0
 17 36  1  0  0  0  0
 17 38  1  0  0  0  0
 18 37  1  0  0  0  0
 18 39  1  0  0  0  0
 19 38  1  0  0  0  0
 19 40  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 38 75  1  0  0  0  0
 38 76  1  0  0  0  0
 39 77  1  0  0  0  0
 39 78  1  0  0  0  0
 40 79  1  0  0  0  0
 40 80  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 545👍, 0💬