Molecule Editor

Molecule ID: FYI-1016643 Edit

Molecule Structure InChIKey: LKUNXBRZDFMZOK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(=O)OCC(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016643
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   16.9741    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4683    3.4976    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  2  0  0  0  0
  8  6  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
  3 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016643-3D
FYIcenter.com

 43 42  0     1  0  0  0  0  0999 V2000
   -3.2079   -0.1586    0.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097    1.7642   -0.2664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5589   -1.4219   -0.7508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0074   -0.5760    0.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457    0.4153   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850   -0.4619    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -0.3847    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4695    0.3333   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    0.4828   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7423   -0.5049    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8603   -0.3051    0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0248    0.2835   -0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2604   -0.5729    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700    0.5739    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4338    0.5593    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6168   -0.3778    0.2238 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9431    0.3514    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9768    1.2568    0.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9506    0.8384   -1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942   -0.8710    1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1459   -1.3124   -0.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6451   -0.7902    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6381   -1.2386   -0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428    0.7607   -1.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113    1.1774    0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574    1.3505    0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    0.8757   -1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6939   -1.3592   -0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7762   -0.9181    1.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8746   -0.6950    1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9246   -1.1406   -0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0249    0.6513   -1.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0663    1.1595    0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3046   -0.9262    1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1664    0.0079   -0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630   -1.4449   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4727    1.3844    0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4539    0.9647   -1.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5581   -0.8664    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0473    1.1556    0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0393    0.7676   -0.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6013   -1.0131   -1.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8376   -0.0826    0.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  3 42  1  0  0  0  0
  4 17  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  END
$$$$