Molecule Editor

Molecule ID: FYI-1016611 Edit

Molecule Structure InChIKey: HHBQJEJTSHERLD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)COC(=O)CCCCC(=O)OCCCOC(=O)CCCCC(=O)OC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016611
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
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    6.8513    8.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8638    7.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7484    8.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9069    7.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8262    8.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5162    6.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8889    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9425    2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    4.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3899    5.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    7.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9170    7.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  7  8  2  0  0  0  0
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  9 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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 26 27  1  0  0  0  0
 28  1  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016611-3D
FYIcenter.com

 60 60  0  0  0  0  0  0  0  0999 V2000
    2.9646   -0.5573   -1.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3712    0.0868   -1.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1797   -1.0398   -0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1301    0.5210   -2.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4834    1.0798   -2.6336 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2178    2.1144   -3.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3922    2.2603   -2.8336 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5281    3.1371   -4.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3458    4.0138   -5.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3398    4.8430   -5.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8908    5.7416   -6.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5982    7.2885   -8.7667 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    6.5000   -8.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    5.7834   -7.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3259    5.9203   -7.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6266    4.3297   -5.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062    3.5594   -4.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7130    3.9361   -3.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$