Molecule FYI-1003411

A

Molecule Summary:

ID: FYI-1003411
Names:
InChIKey: GXRXRSXWKPXYAS-UHFFFAOYSA-N
SMILES: CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)S

Received at FYIcenter.com on: 2023-06-14

Molecule ID: FYI-1003411 Edit

Molecule Structure InChIKey: GXRXRSXWKPXYAS-UHFFFAOYSA-N

Molecule Structure SMILES String: 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-1003411
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    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
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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    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
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  9  8  2  0  0  0  0
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 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003411-3D
FYIcenter.com

 48 47  0  0  0  0  0  0  0  0999 V2000
    5.2025    2.2844    2.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    1.1753    3.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5190    1.2228    4.3169 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3124   -0.0231    2.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0076    0.2998    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3502    0.5517   -0.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5149    0.3375    1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1241    0.6755   -0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3510    1.8554   -0.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3224   -0.4068   -1.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016   -1.7634   -0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8849   -2.4354   -0.1823 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0748   -2.3139   -1.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2108   -1.4129   -0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9983   -0.3752   -0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6294   -1.8791   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9514   -2.1434   -2.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1301   -1.9276   -3.2984 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3523   -2.5936   -2.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7659   -3.9038   -2.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0004   -4.5446   -1.4028 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1221   -4.4699   -2.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2901   -3.5951   -2.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1230   -2.5091   -1.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6868   -4.1255   -2.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0258   -4.3971   -3.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2376   -4.2618   -4.6707 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6654   -4.9678   -4.0349 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793    3.0591    3.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2165    1.8911    2.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6756    2.7336    1.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3512   -0.5007    2.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9097   -0.7578    2.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9032   -0.6135    1.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8398    1.1016    1.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0986   -0.0765   -2.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998   -0.5178   -1.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1105   -2.5234   -2.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1883   -3.2595   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7822   -2.7723   -0.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3103   -1.0981   -0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0317   -1.7879   -2.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4017   -2.7189   -3.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1223   -4.6724   -3.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2344   -5.4227   -1.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8006   -5.0389   -1.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3873   -3.3731   -1.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1153   -4.9053   -2.7748 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  2  0  0  0  0
  2  4  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  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  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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 10 37  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  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 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 1504👍, 0💬