Molecule Editor

Molecule ID: FYI-1002042 Edit

Molecule Structure InChIKey: XRMBQHTWUBGQDN-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCC(CC)(COCC(CC)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002042
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    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
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16  7  1  0  0  0  0
 17 16  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  2  0  0  0  0
 22  3  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002042-3D
FYIcenter.com

 67 66  0  0  0  0  0  0  0  0999 V2000
   10.3787   -4.1598    3.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2640   -5.2153    2.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6978   -5.2294    1.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6426   -6.2784    0.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1194   -4.0613    0.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -4.1783    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8280   -3.2754    0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -3.6345    2.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6327   -5.0759    2.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   -1.7946    0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3555   -0.7674    1.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4279   -0.5585    2.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6478    0.6520    2.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2032    1.9059    2.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6010    3.2337    2.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    0.4167    2.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218    1.3831    3.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046    1.6406    2.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9028    1.2262    1.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721    2.4985    3.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8322    2.7526    4.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    0.6866    4.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7291   -0.5880    5.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7997   -1.2184    5.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9659   -0.8634    5.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3302   -2.4434    6.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732   -3.2100    7.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3921   -3.4148    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045   -4.6863    0.6059 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
$$$$