Molecule FYI-1000202

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Molecule Summary:

ID: FYI-1000202
SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC

Received at FYIcenter.com on: 2020-12-12

Molecule ID: FYI-1000202 Edit

Molecule Structure SMILES String: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000202
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   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
   12.1244    2.1000    0.0000 C   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000202-3D
FYIcenter.com

 54 54  0  0  0  0  0  0  0  0999 V2000
    2.3522    0.9439    2.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7009    0.7589    2.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7214    0.1633    1.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723   -0.0280    2.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0935   -0.6115    1.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4385   -0.8558    2.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3585   -1.7800    3.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119   -3.0742    3.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1074   -3.5190    2.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8952   -3.9572    4.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2889   -5.2267    4.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8139   -6.2281    5.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9461   -5.9741    5.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5271   -4.7091    5.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0044   -3.6822    4.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7993   -2.4303    4.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9869   -1.7928    3.8799 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4364   -2.2263    6.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8172   -1.8997    5.9204 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1555   -0.5507    6.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6458   -0.2812    6.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0788    1.0537    6.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5709    1.2861    6.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0223    2.6156    7.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6347    1.3768    2.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9545   -0.0151    1.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4342    1.6142    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847    0.1028    3.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0588    1.7273    3.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    0.8207    1.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3582   -0.8030    1.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9528   -0.6924    3.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375    0.9349    3.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2382    0.0748    0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7001   -1.5472    1.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8317    0.0830    2.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1732   -1.2102    1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -5.4558    3.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3612   -7.2161    5.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988   -6.7632    6.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4353   -4.5538    6.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1312   -1.9399    4.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3768   -2.6847    6.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8998   -0.5482    7.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5484    0.2346    6.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8724   -0.2965    5.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2283   -1.0908    6.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8685    1.0661    7.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4992    1.8642    6.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7840    1.2686    5.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1531    0.4771    7.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4801    3.4459    6.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0914    2.7633    7.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8493    2.6503    8.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  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  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  2  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  END
$$$$

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