Molecule FYI-1003793

A

Molecule Summary:

ID: FYI-1003793
Names:
InChIKey: KRSJYKRYYZOUGY-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003793 Edit

Molecule Structure InChIKey: KRSJYKRYYZOUGY-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003793
FYIcenter.com

 39 39  0  0  0  0  0  0  0  0999 V2000
    0.6679   12.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2246   10.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2246    6.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679    5.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3185    4.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    2.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1692    1.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3214    1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5863    0.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9310    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7196    0.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0913    0.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4003    0.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6127    1.5329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6972    2.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6257    3.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3738    4.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9226    5.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2576    7.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3703    8.6922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2576   10.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9226   11.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3738   12.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6257   13.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6972   14.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6127   15.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4003   16.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0913   17.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7196   17.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208   17.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9310   17.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5863   16.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3214   16.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1692   15.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   14.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3185   13.3416    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
 39  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003793-3D
FYIcenter.com

 79 79  0  0  0  0  0  0  0  0999 V2000
   17.9269   10.8436    4.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1748   12.2441    5.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0150   13.6362    5.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8687   15.0579    6.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5980   16.5864    6.2641 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3729   17.8995    6.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2517   18.8507    6.1215 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9672   19.3042    5.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1489   18.3367    4.1537 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7903   17.9473    4.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5295   17.4089    3.8464 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0030   18.0325    3.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2838   16.8412    3.4653 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7548   16.6870    3.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6157   15.1193    3.7007 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3643   14.6047    4.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7160   13.6017    3.6274 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4927   14.2616    3.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8790   13.3124    2.5039 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5718   13.2341    2.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2495   11.8895    2.7579 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8925   12.0704    2.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4184   10.9918    1.9323 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0626   10.8498    2.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7449    9.5247    1.7563 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3639    9.4141    1.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7577    8.2417    1.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3079    8.4889    1.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7671    7.3959    0.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4937    7.0269    1.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8338    5.5265    0.8838 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9490    4.4257    1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3256    3.2550    0.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0765    3.5461    1.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034    5.0182    2.3123 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1232    6.0895    3.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7667    7.4423    3.6452 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8377    8.2463    4.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8312    9.6037    4.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5820   10.6059    3.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1885    9.7281    4.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9552   13.4769    5.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5720   12.5040    4.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5969   15.8265    5.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2573   14.9711    5.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8196   19.1962    5.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0007   19.1647    6.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4920   20.2680    4.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.6982   19.4316    6.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4835   18.9543    4.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0712   17.4889    5.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1541   19.0243    3.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3303   18.6242    4.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7834   17.5665    3.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3019   17.2661    4.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8125   15.4796    4.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6029   15.2726    5.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6768   15.1395    2.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8438   14.7425    4.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1043   13.9368    2.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1289   13.5830    3.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5810   12.8964    2.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5311   12.3701    3.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5007   11.5083    1.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7394   11.1458    3.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8903   10.1469    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0039    9.7397    2.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9467    9.2460    0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8885    8.8727    2.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6921    7.3590    0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0696    7.6401    2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2047    5.0573    0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9359    4.1271    2.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2947    3.5953    0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5117    2.8632    1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0183    6.3476    2.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6374    5.8930    3.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1200    7.8979    3.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8994    7.1207    3.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2 42  1  0  0  0  0
  2 43  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 46  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 56  1  0  0  0  0
 16 57  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 78  1  0  0  0  0
 38 79  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1480👍, 0💬