Molecule FYI-1011790

A

Molecule Summary:

ID: FYI-1011790
Names:
InChIKey: ZAWZPQOLCZXQLU-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O

Received at FYIcenter.com on: 2024-08-11

Molecule ID: FYI-1011790 Edit

Molecule Structure InChIKey: ZAWZPQOLCZXQLU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011790
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    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
   13.3368    2.8000    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
   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   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
    6.0621    2.8000    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    2.8000    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
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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
   10.9118    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    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  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  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 10  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011790-3D
FYIcenter.com

 64 64  0  0  1  0  0  0  0  0999 V2000
    1.9345   -9.1007    6.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4295   -8.8426    6.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -7.3606    6.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1976   -7.0668    6.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4270   -5.5732    5.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9126   -5.2622    5.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1800   -3.7730    5.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6890   -3.5614    5.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1155   -2.1069    5.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6562   -1.9960    5.2947 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0833   -0.5485    5.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5894   -0.4065    4.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3280   -0.7499    5.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1396    0.2331    3.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6629    0.3152    3.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2342    0.9397    2.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5404    0.1458    1.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0761    0.7259    0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3072    2.1054    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8343    2.6207   -0.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9990    2.9187    1.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1538    4.2728    1.3922 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7269    4.9874    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4572    2.3208    2.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0075   -3.4952    6.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8527   -9.4372    5.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2083   -7.0375    5.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3535   -5.8469    5.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122   -5.5786    6.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6877   -1.7249    4.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8139   -0.3655    2.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0926   -0.6864    3.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7712    6.0434    0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0980    4.9227   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2133    2.9480    3.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2579   -3.0796    8.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7311   -4.7400    8.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 25  1  0  0  0  0
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 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  2  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 62  1  0  0  0  0
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 27 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 2005👍, 0💬