Molecule Editor

Molecule ID: FYI-1016639 Edit

Molecule Structure InChIKey: OOZOEHFFDUCLOT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)CC(CO)COC(=O)CCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016639
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
    6.0186    2.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3184    3.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5379    2.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092    0.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5974    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8268    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1454    2.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3635    3.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3594    4.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2724    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3679    2.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0852    1.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7004    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3992    3.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6839    2.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7374    3.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0627    2.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012    2.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  2  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016639-3D
FYIcenter.com

 50 49  0  0  1  0  0  0  0  0999 V2000
    2.7428   -0.2534    5.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290    0.8222    4.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202    0.5622    3.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    1.6519    2.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2813    1.4262    2.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6230    2.5219    1.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2870    2.4529   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3928    3.7237    1.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9082    3.5361    1.5296 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3445    3.3232    0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0512    4.4329   -0.7682 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6624    4.7334    2.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0880    4.5645    2.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6361    3.7311    2.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0031    3.1851    3.8424 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1232    3.5790    2.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5997    2.2094    3.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1035    2.0096    3.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5336    0.6291    3.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0262    0.4051    3.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7462   -0.0566    5.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4528   -0.2826    6.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298   -1.2388    4.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1047    1.8017    4.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3884    0.8485    3.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5357   -0.4174    3.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2575    0.5278    4.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8609    2.6312    3.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    1.6738    1.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    0.4700    1.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0437    1.3992    2.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1255    3.8571    2.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0378    4.6212    1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1964    2.6341    2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8831    2.4247   -0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271    3.1699    0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2272    4.8553   -0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4009    4.8794    3.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3926    5.6572    1.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6262    4.3800    3.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3430    3.6877    1.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0545    1.4223    2.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3518    2.0922    4.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6529    2.7867    3.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3614    2.1122    1.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9868   -0.1516    2.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2792    0.5235    4.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3096    0.4705    2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3070   -0.5877    3.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6027    1.1486    3.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  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  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
M  END
$$$$