Molecule FYI-1006659

A

Molecule Summary:

ID: FYI-1006659
Names:
InChIKey: SVFKYXMUKNCHNJ-UHFFFAOYSA-N
SMILES: C=CC(=C)OCCOCC(COCCOC(=O)C=C)OCCOC(=O)C=C

Received at FYIcenter.com on: 2024-01-10

Molecule ID: FYI-1006659 Edit

Molecule Structure InChIKey: SVFKYXMUKNCHNJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=C)OCCOCC(COCCOC(=O)C=C)OCCOC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006659
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   19.3990    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   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    7.7000    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
    7.2747    7.7000    0.0000 O   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    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  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  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 14 13  1  0  0  0  0
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 17 16  2  0  0  0  0
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 20 10  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006659-3D
FYIcenter.com

 55 54  0  0  1  0  0  0  0  0999 V2000
    4.9631   -0.3459   -2.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7716   -1.4172   -2.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4759   -1.9079   -1.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2957   -2.9677   -1.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2167   -1.1970   -0.2517 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9615   -1.5827    0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730   -0.6520    2.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3413   -1.0853    3.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7634   -1.0104    3.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4353   -1.4680    4.4398 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0454   -2.9312    4.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3864   -3.8848    3.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7797   -4.0658    3.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6072   -4.4419    4.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0061   -4.5062    4.4015 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4056   -5.6532    3.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7036   -6.6005    3.5001 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8599   -5.5568    3.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5086   -6.5526    2.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8721   -1.3748    4.4042 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4199   -0.1110    4.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648    0.9506    5.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6494    2.2311    4.6868 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7425    2.4838    3.4221 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4022    4.2081    3.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4458   -3.4737   -2.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471   -3.3814   -0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266   -1.5286    0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7152   -2.6098    1.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5979   -0.6430    2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3705   -4.6664    3.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9839   -7.4407    2.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5770   -6.5013    2.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0890    0.1941    3.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5027   -0.2463    3.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    0.6718    6.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1081    1.0196    5.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2071    6.0351    2.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 41  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 50  1  0  0  0  0
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 23 24  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 211👍, 0💬