Molecule Editor

Molecule ID: FYI-1006689 Edit

Molecule Structure InChIKey: JGUBUKCOVKAHRL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(O)OCCCCOC(=O)CCCCC(O)OCCCCOCCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006689
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
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    2.0394    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899    2.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3148    1.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6568    1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0531    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1037    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386    1.6006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6328   14.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6638   14.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2865   14.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   14.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5320   13.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5188   14.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001   12.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330   11.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7223   10.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3967    8.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714    7.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476    5.9130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  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
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 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  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  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006689-3D
FYIcenter.com

 77 77  0  0  1  0  0  0  0  0999 V2000
    9.7131    2.5236    7.1233 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5087    1.6230    6.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1601    2.0018    9.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$