Molecule Editor

Molecule ID: FYI-1016699 Edit

Molecule Structure InChIKey: SBACXBNFHPPNBE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(=O)OCC(COC(=O)CC)OC(=O)CCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016699
FYIcenter.com

 36 35  0  0  0  0  0  0  0  0999 V2000
   14.3106    8.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4485    9.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4406    8.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5089    9.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7346    8.6154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6493    7.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0353    9.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9383   10.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8857    8.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6189    8.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2026    8.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0530    7.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    8.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3698    8.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202    7.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535    8.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3237    5.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6847    5.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4738    4.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8817    9.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6466   10.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1735    8.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0854    4.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2355    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8471    3.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9971    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6087    2.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7588    1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704    2.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5204    0.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1320    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2821    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3519    7.4897    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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  5 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016699-3D
FYIcenter.com

 92 91  0  0  1  0  0  0  0  0999 V2000
   17.6316   17.9098   -1.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9998   17.2687   -0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1758   15.7538   -0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5410   15.1051    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7229   13.5912    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0902   12.9367    1.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2765   11.4224    1.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6460   10.7661    2.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8238    9.2471    2.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1810    8.6217    4.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3202    7.1015    4.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6758    6.5372    5.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7041    7.0189    5.8623 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3216    5.4066    5.6975 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8039    4.8136    6.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3013    5.5548    8.1594 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.7470    4.9112    9.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3079    4.9259    9.4665 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7958    6.1381    9.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4654    7.1079   10.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2881    6.0771    9.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6985    7.4136   10.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7478    5.5226    8.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3521    6.7449    8.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$