Molecule FYI-1003792

A

Molecule Summary:

ID: FYI-1003792
Names:
InChIKey: ZBRNYEYIIRZNQS-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

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

Molecule ID: FYI-1003792 Edit

Molecule Structure InChIKey: ZBRNYEYIIRZNQS-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003792
FYIcenter.com

 37 37  0  0  0  0  0  0  0  0999 V2000
    0.7029   11.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2366   10.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2366    6.1669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7029    4.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    3.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653    2.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162    1.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8073    0.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760    0.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9634    0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020    0.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5521    1.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6777    2.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6464    3.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4304    4.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0070    5.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3598    6.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4785    8.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3598    9.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0070   10.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4304   12.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6464   13.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6777   14.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5521   15.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020   15.9057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9634   16.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747   16.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760   16.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8073   16.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084   15.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3162   14.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   13.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   12.8688    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
 37  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003792-3D
FYIcenter.com

 75 75  0  0  0  0  0  0  0  0999 V2000
   15.8392   -3.8721  -12.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7605   -4.3412  -13.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7503   -4.6155  -14.9632 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6369   -5.2236  -16.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5424   -5.3306  -17.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4547   -5.9858  -18.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3809   -5.9953  -18.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1124   -6.0088  -17.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0119   -5.7252  -16.5644 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6273   -5.6642  -16.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0056   -5.3356  -15.4295 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6033   -5.3231  -15.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0159   -4.8567  -14.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6138   -4.9267  -14.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0590   -4.6449  -13.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6558   -4.5451  -13.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2424   -4.4047  -11.8275 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8730   -4.4138  -11.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7148   -5.1186  -11.7065 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9061   -4.1232  -11.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2361   -3.4950  -10.0686 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9350   -3.1746   -9.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3867   -2.8679   -8.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9579   -3.1949   -8.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3288   -2.9639   -7.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9774   -2.5347   -7.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5736   -2.0840   -6.0153 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1673   -1.9621   -5.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   -1.5424   -4.6327 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5739   -1.4869   -4.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0608   -1.0898   -3.3023 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7362   -1.2172   -3.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8881   -1.4594   -5.6681 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9203   -2.3254   -7.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4055   -2.6909   -8.5792 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2073   -3.0524   -9.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8804   -3.4890  -11.2670 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6994   -4.7271  -11.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9566   -3.1252  -11.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6007   -3.6604  -13.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2268   -5.3362  -13.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1967   -6.1987  -16.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5970   -4.3915  -16.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0116   -7.0508  -18.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0856   -5.3053  -19.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8075   -6.9572  -17.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8037   -5.1936  -18.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3115   -6.7318  -16.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3882   -4.8043  -17.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2953   -6.3697  -15.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3902   -4.5621  -16.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3518   -5.9519  -14.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2114   -4.0744  -14.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2748   -5.5228  -13.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2653   -3.6749  -13.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9753   -5.3780  -12.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6417   -3.4182  -12.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1630   -4.8865  -11.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7154   -3.2784  -12.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5793   -4.2019   -9.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5767   -2.3765  -10.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8614   -4.2528   -9.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6336   -2.4508   -9.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4404   -3.4652   -7.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7422   -1.6856   -7.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6883   -2.9623   -6.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7821   -1.1780   -6.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1127   -2.5494   -4.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2704   -0.6163   -5.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2511   -1.9042   -2.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810   -0.1772   -3.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9760   -3.0993   -6.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8331   -1.3777   -7.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7493   -3.9296   -8.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8423   -1.8414   -9.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 46  1  0  0  0  0
  8 47  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 72  1  0  0  0  0
 34 73  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 74  1  0  0  0  0
 36 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2731👍, 0💬