Molecule Editor

Molecule ID: FYI-1003372 Edit

Molecule Structure InChIKey: CICCYHMSMANUGA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OCCCCOC(=O)CCCCC(=O)OCCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003372
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
    6.8809    2.2725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024    1.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1118    0.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4403    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3594    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9502    2.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8693    3.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4600    4.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793    5.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7079    5.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9701    6.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    8.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6414    7.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9036    8.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9843    7.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    8.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7367    7.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080    7.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4888    6.3685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981    5.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    2.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    9.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9239    8.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3824    7.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0887    4.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193    2.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013    2.1858    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  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 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  2  0  0  0  0
 22  2  1  0  0  0  0
 12 23  1  0  0  0  0
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 11 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003372-3D
FYIcenter.com

 60 60  0     0  0  0  0  0  0999 V2000
   -2.6479    3.0544   -0.0766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7206    1.1796    2.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561   -2.3641    0.4954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9602   -0.7441   -1.5809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3975    2.3456   -2.2598 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440   -0.9760    1.9936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5668   -3.7274    0.9216 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1212   -0.8751   -2.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5488    0.8826    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7217    1.2858   -0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0584    0.9059    1.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3797    1.0878   -1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4221   -3.0479   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2924   -2.4860   -1.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    3.5738   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$