Molecule Editor

Molecule ID: FYI-1016607 Edit

Molecule Structure InChIKey: UZVNFTLVYRSZCU-UHFFFAOYSA-N

Molecule Structure SMILES String: OCCCCCCCCCCCCCCN(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016607
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   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 C   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
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
   19.4402    0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6067    0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8604    0.2277    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 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016607-3D
FYIcenter.com

 61 60  0  0  0  0  0  0  0  0999 V2000
    0.9231    0.2979   -0.2949 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    0.2162   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787    1.1222    0.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    1.0803    0.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9287    1.9927    1.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    1.9531    2.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    2.8665    3.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4891    2.8414    3.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9721    3.7620    4.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4896    3.7551    4.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9614    4.6809    5.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4791    4.6622    5.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0001    5.5642    6.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5262    5.5093    6.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1562    6.3741    7.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7659    6.0713    9.1887 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1176    4.6644    9.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6971    4.1652   10.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0650    2.7940   11.0932 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4614    7.0123   10.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1479    8.5089    9.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7513    8.7672    9.9923 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083   -0.2884   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7123    0.5272   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317   -0.8249   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4540    0.8205    1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5322    2.1489    0.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158    1.3918   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7372    0.0523    1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5184    1.6813    2.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5930    3.0217    1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8664    2.2683    1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7924    0.9259    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    2.5505    4.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6235    3.8926    2.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9072    3.1614    2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8374    1.8189    3.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5454    3.4407    5.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6189    4.7836    4.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9200    4.0765    3.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8466    2.7346    4.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5342    4.3593    6.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6089    5.7022    5.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8984    4.9847    4.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8237    3.6350    5.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5881    5.2370    7.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6621    6.5955    6.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8938    5.8695    5.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8679    4.4719    6.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8688    7.4029    7.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2488    6.3168    7.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1956    4.4972    9.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6287    3.9825    8.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6162    4.2565   11.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2046    4.7198   11.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3624    2.2439   10.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5473    6.8687   10.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1507    6.7854   11.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5035    8.8745    8.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6514    9.1010   10.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3195    8.0753    9.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 22  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 61  1  0  0  0  0
M  END
$$$$