Molecule Editor

Molecule ID: FYI-1016129 Edit

Molecule Structure InChIKey: TYFQFVWCELRYAO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016129
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    2.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2349    3.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1949    0.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798    1.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854    1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9620    1.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3196    1.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4648    2.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5536    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4639    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6946    2.2084    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016129-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
   -5.5447   -0.7580   -0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5615    0.7363   -0.0405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5456    1.2833    0.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5426   -1.2915    0.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6221   -0.4497    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6054    0.4665    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9774    0.2606   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.2397    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630   -0.6971    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1708    0.6960   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4648    0.0621   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718   -0.0688   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5451   -1.1014   -0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5898   -1.1092    0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5528    1.0858    0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503    1.1573   -0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0327    0.8782   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352    0.9528    0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0011   -0.8890   -0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350   -0.9064    0.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1304   -1.2963    0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347   -1.3640   -0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544    1.3396    0.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390    1.3225   -0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3866   -0.2546   -0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3968    0.2221   -0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 25  1  0  0  0  0
  2 12  1  0  0  0  0
  2 26  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$