Molecule Editor

Molecule ID: FYI-1016068 Edit

Molecule Structure InChIKey: KBLRXJKYYRSGIE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCCO)OCCCCOC(=O)CCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016068
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
    4.2642    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3214    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3633    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4433    2.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6703    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6079    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7819    1.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8804    2.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9470    1.8008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0654    2.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9455    4.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3438    2.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7061    2.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0517    2.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2519    2.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9738    1.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1024    1.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860    2.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2170    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016068-3D
FYIcenter.com

 46 45  0     0  0  0  0  0  0999 V2000
   -3.0519    0.1551   -0.0326 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598   -0.1602   -0.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2922    0.7867    0.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2914   -0.7859    0.0356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2800   -1.7975    0.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792    1.7981    0.0070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6670    0.3698   -0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6661   -0.3697   -0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7234   -0.3869    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7225    0.3877    0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8447   -0.5941   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8437    0.5945   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3940    0.3645   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3931   -0.3639   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9078    0.5753   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9068   -0.5747   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2108   -0.5763   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099    0.5768   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2358   -0.1631    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2351    0.1639    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374    1.0086   -0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7359    1.0464    0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258   -1.0289    0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7463   -1.0262   -0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7710   -0.9915    0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7846   -1.0861   -0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7723    0.9956    0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7819    1.0837   -0.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8165   -1.2431   -0.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8024   -1.2149    0.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062    1.2184    0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    1.2380   -0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3421    0.9692   -0.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3116    1.0238    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3397   -0.9721   -0.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3133   -1.0201    0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8406    1.2992    0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8812    1.1672   -0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8414   -1.2956    0.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8782   -1.1700   -0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3063   -0.7288    1.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3582   -0.8504   -0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3075    0.7331    0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3556    0.8482   -0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1253    0.2887    0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1246   -0.2876    0.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 45  1  0  0  0  0
  4 20  1  0  0  0  0
  4 46  1  0  0  0  0
  5 17  2  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 20  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$