Molecule Editor

Molecule ID: FYI-1012170 Edit

Molecule Structure InChIKey: BUACOWOGXVQEBF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC(CC(CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012170
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
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   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012170-3D
FYIcenter.com

 65 65  0  0  1  0  0  0  0  0999 V2000
    3.0961   -1.2729    5.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1262   -0.2032    4.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3861   -0.3932    6.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8558   -1.5905    5.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4546   -1.6192    4.0114 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.5993    0.0254   -2.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4837   -3.5793   -3.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8321   -3.9383   -4.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9894   -1.8117   -1.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3118    2.1009    1.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4636    2.9800    1.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$