Molecule FYI-1015737

A

Molecule Summary:

ID: FYI-1015737
Names:
InChIKey: CDDFAXFDVPQJEN-UHFFFAOYSA-N
SMILES: CCOC(=O)CCC(=O)OCCCCOC(=O)CCC(=O)OCCCCOC(=O)CCC(=O)O

Received at FYIcenter.com on: 2025-10-06

Molecule ID: FYI-1015737 Edit

Molecule Structure InChIKey: CDDFAXFDVPQJEN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)CCC(=O)OCCCCOC(=O)CCC(=O)OCCCCOC(=O)CCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015737
FYIcenter.com

 34 33  0  0  0  0  0  0  0  0999 V2000
   32.7357    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  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 16  1  0  0  0  0
 19 18  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  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015737-3D
FYIcenter.com

 68 67  0  0  0  0  0  0  0  0999 V2000
   12.8253   11.5122    4.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6940   12.3465    5.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4584   11.9064    6.6300 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5887   10.8644    6.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7744   10.5276    5.8938 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8193   10.1235    8.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5358    8.6314    7.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4571    8.0494    6.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5966    8.4477    6.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8609    7.0277    6.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6695    6.4139    5.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6087    7.2290    3.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4706    6.6202    2.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4522    7.4669    1.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9638    8.7893    1.6502 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3186    8.9056    1.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0953    7.9773    1.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625   10.3280    1.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1102   10.6060    1.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9982   10.3880   -0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9581   10.5501   -0.9434 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1709    9.9472   -0.8351 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0510    9.2008   -2.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8044   10.0518   -3.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9362   11.0402   -3.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6743   11.8854   -4.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5605   11.0721   -6.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7271   10.6530   -6.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8494   10.9030   -6.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5510    8.2745   -5.7722 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4934    8.4841    7.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2663    5.4103    4.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  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
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 28 29  2  0  0  0  0
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 34 68  1  0  0  0  0
M  END
$$$$

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2025-10-14, 568👍, 0💬