Molecule FYI-1013286

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A

Molecule Summary:

ID: FYI-1013286
Names:
InChIKey: SBXAUMZGXPUDSU-UHFFFAOYSA-N
SMILES: CC(=O)OC1CCCCCCCCCCCCCCCCCCCCC1

Received at FYIcenter.com on: 2024-12-04

Molecule ID: FYI-1013286 Edit

Molecule Structure InChIKey: SBXAUMZGXPUDSU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OC1CCCCCCCCCCCCCCCCCCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013286
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  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
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 15 14  2  0  0  0  0
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 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
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013286-3D
FYIcenter.com

 72 72  0  0  0  0  0  0  0  0999 V2000
    7.1726    2.9200   -4.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5425    3.2838   -5.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7833    2.8952   -6.9705 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2856    3.6414   -6.5502 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2451    3.0256   -7.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0362    3.2367   -8.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0189    3.1298   -9.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7910    3.2048  -10.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6645    2.7626  -11.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9763    1.5775  -13.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2066    0.5932  -12.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6338    0.3923   -9.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1968    0.3933   -9.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9639    0.2832   -7.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5442   -0.0045   -7.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2946   -0.4289   -6.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8604   -0.5833   -5.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-12-18, 1187👍, 0💬