Molecule FYI-1013010

Home > Molecule

A

Molecule Summary:

ID: FYI-1013010
Names:
InChIKey: NBKJIDQTILVPCI-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO

Received at FYIcenter.com on: 2024-11-07

Molecule ID: FYI-1013010 Edit

Molecule Structure InChIKey: NBKJIDQTILVPCI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1013010
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   33.9482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  0  0  0  0
 12 10  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013010-3D
FYIcenter.com

 74 73  0  0  0  0  0  0  0  0999 V2000
   19.0577   14.3446    3.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9712   13.9183    2.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5635   12.4637    3.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4706   12.0340    2.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0702   10.5768    2.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9814   10.1426    1.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792    8.6873    1.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4709    8.2587    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0580    6.8033    0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4488    6.5884    2.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4701    7.1927    2.6535 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1620    5.6660    2.9250 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7443    5.4625    4.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    6.6084    5.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6252    6.6141    5.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1671    7.6648    6.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8026    7.5449    7.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2841    6.2983    8.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7692    6.0221    9.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2785    4.6613    9.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8263    4.4207   11.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2958    3.1671   11.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8009    2.9842   13.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2590    1.7300   13.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8251    1.5154   14.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3441    0.1649   15.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9270   -0.0670   16.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3870   -1.3416   17.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9193   -1.5203   18.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4946   -1.4809   18.6751 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3371   15.3881    3.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9541   13.7276    3.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7134   14.2546    4.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3344   14.0486    1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1002   14.5729    3.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2055   12.3375    4.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4390   11.8137    3.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8260   12.1603    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5926   12.6802    2.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7108   10.4519    3.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9486    9.9303    2.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3402   10.2653    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1035   10.7898    1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2408    8.5722    2.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4526    8.0362    1.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8191    8.3869   -0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6005    8.9134    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9224    6.1442    0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3117    6.5090    0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2063    4.5256    4.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6568    5.3302    4.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7815    6.4323    6.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8553    7.5787    4.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8508    8.6341    5.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2553    7.5996    5.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7191    7.6125    7.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2712    8.3588    8.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6723    6.0169    9.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0913    6.7985   10.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3743    4.6408    9.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9055    3.8797    9.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3919    3.1377   11.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9260    2.3516   10.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7050    3.0204   13.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1747    3.8005   13.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7298    1.5326   14.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2034    2.3126   15.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4391    0.1483   15.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -0.6285   14.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4804   -1.3820   17.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9568   -2.1244   16.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2977   -0.7150   19.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2544   -2.4807   19.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2415   -0.6659   18.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  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
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  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
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  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
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 27  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
 30 74  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-11-23, 400👍, 0💬