Molecule Editor

Molecule ID: FYI-1003468 Edit

Molecule Structure InChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003468
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    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  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003468-3D
FYIcenter.com

 66 66  0  0  1  0  0  0  0  0999 V2000
    2.7391    0.1908   -1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0936   -0.4383   -1.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6902   -1.0834   -0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390   -1.7723   -0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1859   -0.8662   -1.1204 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4542    0.3677   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9870    0.0572    1.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752   -1.6833   -1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7640   -4.3830   -6.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7407   -5.3237   -6.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8855   -3.5345   -2.0945 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9525   -5.7775   -2.5619 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6384   -6.0757   -1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6498   -6.3738   -0.1987 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7697   -7.6210   -0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811   -7.5370   -1.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3892   -6.5775    1.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1676   -5.3427    1.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270   -5.5591    2.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6220   -4.3308    3.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
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 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
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 27 28  1  0  0  0  0
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 28 66  1  0  0  0  0
M  END
$$$$