Molecule FYI-1016784

A

Molecule Summary:

ID: FYI-1016784
Names:
InChIKey: NCNNNERURUGJAB-UHFFFAOYSA-N
SMILES: C=CC(=O)OCCCOCC(CC)(COCCCOC(=O)C=C)COCCCOC(=O)C=C

Received at FYIcenter.com on: 2026-03-12

Molecule ID: FYI-1016784 Edit

Molecule Structure InChIKey: NCNNNERURUGJAB-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCCCOCC(CC)(COCCCOC(=O)C=C)COCCCOC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016784
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
    4.8499    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    9.1000    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
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    0.0000   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 18 19  1  0  0  0  0
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 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 16 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 20 30  2  0  0  0  0
 24 31  1  0  0  0  0
 24 32  2  0  0  0  0
 31 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016784-3D
FYIcenter.com

 71 70  0  0  0  0  0  0  0  0999 V2000
    4.7757   -5.1154    6.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046   -3.9485    7.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3523   -2.7451    6.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4398   -2.6990    5.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -1.7226    7.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9843   -0.4893    6.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4693   -0.5482    6.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9410    0.6659    5.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3377    0.6018    5.4108 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832   -0.4526    4.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1955   -0.4397    4.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5733   -1.6528    3.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5426    0.9031    3.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9419    0.9834    3.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3258    2.1995    2.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0824    3.4238    3.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5306    4.7148    2.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9421    4.7172    2.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6911    5.0526    3.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2786    5.3472    4.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1095    4.9963    3.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0715    5.2464    4.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9963   -0.5147    5.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 831👍, 0💬