Molecule FYI-1003388

A

Molecule Summary:

ID: FYI-1003388
Names:
InChIKey: LVQMHWDNOFVPBW-UHFFFAOYSA-N
SMILES: CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)S

Received at FYIcenter.com on: 2023-06-12

Molecule ID: FYI-1003388 Edit

Molecule Structure InChIKey: LVQMHWDNOFVPBW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)S

Download SDF Download SVG Structure in 2D SDF:

FYI-1003388
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 11  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  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
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003388-3D
FYIcenter.com

 53 52  0  0  0  0  0  0  0  0999 V2000
    9.6539    3.1209    2.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3078    3.0875    3.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9246    4.0127    3.8645 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4133    1.9218    2.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285    0.5897    3.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    0.3582    4.2990 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1084   -0.4694    2.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0137   -0.0925    0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5871    0.6097    0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4620   -0.5050    1.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1054   -0.6592   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0914   -1.7664   -0.8745 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6147    0.5487   -1.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2258    1.6362   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5329    2.2991    0.5399 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6830    1.9679   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6052    0.7995   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1719   -0.2870    0.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0892    1.0355   -0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5210    1.5398   -1.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7146    1.6962   -2.5663 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9921    1.7539   -1.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6456    2.7637   -0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0103    3.3728   -0.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1023    3.0920   -1.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0408    1.9240   -1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6294    0.8034   -0.7392 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5217    2.1777   -1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9557    2.6631   -2.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1867    2.8886   -3.4391 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6851    2.9332   -2.6960 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2137    4.0097    2.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    3.1530    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4582   -1.4059    2.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5270   -1.4802    1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8124    2.4017   -1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6042    0.0864   -0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3708    1.7398    0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1159    2.1095   -2.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4781    0.7807   -1.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3983    3.8635   -0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1820    3.5129   -2.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0388    1.2320   -0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8025    2.9035   -0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0688    2.5006   -1.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 34  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
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  2  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 1801👍, 0💬