Molecule FYI-1003772

A

Molecule Summary:

ID: FYI-1003772
Names:
InChIKey: GBHRGUHFNYACBB-UHFFFAOYSA-N
SMILES: C1COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1

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

Molecule ID: FYI-1003772 Edit

Molecule Structure InChIKey: GBHRGUHFNYACBB-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003772
FYIcenter.com

 34 34  0  0  0  0  0  0  0  0999 V2000
    0.7630   10.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2572    9.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2572    5.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7630    4.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431    1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603    1.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5543    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482    0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2948    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5480    1.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6652    1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6084    3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3454    4.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8512    5.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1084    6.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1084    8.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8512    9.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3454   10.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6084   12.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6652   13.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5480   14.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2948   14.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482   15.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5543   15.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601   15.0440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136   14.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   14.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431   13.1932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   12.1586    0.0000 C   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
 34  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003772-3D
FYIcenter.com

 80 80  0  0  0  0  0  0  0  0999 V2000
   15.8212    5.2262    8.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0298    6.0276    9.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8928    6.9771   10.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0360    7.6718   11.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9134    8.7971   11.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6889    9.8316   12.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6748   11.2048   13.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3987   12.5308   12.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0755   12.7289   13.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3182   11.6757   12.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1028   11.7119   11.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1008   10.8454   10.4891 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7641   10.3881   10.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5353    9.2828    9.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1762    9.4487    9.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5176    8.8577    8.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0859    9.0707    8.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6311    8.3700    7.6938 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4002    7.8177    7.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4740    6.9393    6.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1738    7.1401    6.0279 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5259    6.1077    5.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9839    6.3777    5.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2507    5.6604    4.6833 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8428    5.5124    4.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    4.5860    3.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3847    4.2328    3.1650 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6044    3.0530    2.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5273    2.3016    2.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5282    1.5490    2.8749 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0184    2.7187    4.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0900    2.9437    5.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9572    3.6582    6.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8382    4.1851    7.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1820    6.1219    8.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5470    5.5449    7.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3640    6.6891    8.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6653    6.7986   10.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2114    8.8230   11.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8609    7.8329   10.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5226    9.5089   12.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0449    8.7036   13.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8001   12.1760   13.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4003   11.3222   14.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0147   11.7604   11.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7313   13.0880   11.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0426   10.9661   13.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8798   11.5394   11.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1677   12.7021   11.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4477   11.2337   12.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1493   11.2619   10.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3714   10.0788   11.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7332    8.1547    9.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0920    9.5061    8.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7934    7.8131    8.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8558    9.2420    7.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7301   10.0933    8.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7366    8.7417    9.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6913    8.6250    7.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2051    7.3943    8.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9399    5.9114    6.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1377    7.2008    5.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0247    5.1362    5.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7399    6.0919    4.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6233    7.4025    5.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7359    6.1993    6.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2525    6.4188    4.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5482    5.1617    5.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2167    3.6749    3.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0922    4.8942    2.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1423    2.1459    2.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2578    3.3033    1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    3.0865    2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5637    1.2826    3.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    3.3235    3.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8450    1.9972    4.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0730    1.8511    4.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0840    3.7859    5.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8832    4.7411    7.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8401    4.3121    6.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 21  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 24  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  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
 32 77  1  0  0  0  0
 32 78  1  0  0  0  0
 33 34  1  0  0  0  0
 34 79  1  0  0  0  0
 34 80  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-03, 3172👍, 0💬