Molecule FYI-1012668

A

Molecule Summary:

ID: FYI-1012668
Names:
InChIKey: OXKLPSSLTDBWOB-UHFFFAOYSA-N
SMILES: O=C1CCCCCC(=O)OCCOC(=O)CCCCCC(=O)OCCO1

Received at FYIcenter.com on: 2024-10-07

Molecule ID: FYI-1012668 Edit

Molecule Structure InChIKey: OXKLPSSLTDBWOB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCC(=O)OCCOC(=O)CCCCCC(=O)OCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012668
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   10.9118    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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
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 13 12  1  0  0  0  0
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 17 16  1  0  0  0  0
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 22 21  2  0  0  0  0
 23 21  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  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012668-3D
FYIcenter.com

 54 54  0     0  0  0  0  0  0999 V2000
    3.3363   -0.1084   -0.9362 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -2.4618   -0.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    2.8661   -0.8467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3907    0.9502   -0.5578 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4571    0.5506   -0.3082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -3.5749   -0.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2039    3.0776    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0952   -0.9605   -1.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    1.2857    1.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -1.9559    1.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110    2.2094    1.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7440    1.4659    0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6109    2.0998   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923    2.8850    1.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2464   -3.1509    1.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2669    0.7764   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7534   -3.0955   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136    2.9566    0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9097   -0.3078   -0.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8012   -1.4442   -1.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3822    0.2402    1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8826    1.4493    2.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0826    1.9860    1.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400    3.2494    1.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109    0.7660    1.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8624    1.1726   -0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9352   -0.0477    1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4254   -1.7887   -0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3803   -1.4336   -2.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8674   -1.8958   -2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831   -3.3340   -1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713    3.4489   -2.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1885    0.9067   -2.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 23  1  0  0  0  0
  2 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 26  1  0  0  0  0
  5 19  2  0  0  0  0
  6 20  2  0  0  0  0
  7 21  2  0  0  0  0
  8 22  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 29  1  0  0  0  0
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 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
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 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
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 14 18  1  0  0  0  0
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 16 21  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 43  1  0  0  0  0
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 18 22  1  0  0  0  0
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 18 46  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1057👍, 0💬