Molecule Editor

Molecule ID: FYI-1003370 Edit

Molecule Structure InChIKey: SFNCDJVWOAZMFE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2OCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c3ccc2cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003370
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    7.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9445    9.1186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2950    9.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5817    9.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9178    9.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6038    8.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9671    8.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2777    4.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2070    5.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754    2.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9052    1.0840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0719    1.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9706    1.1337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7913    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847    0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3418    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1193    1.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    1.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 25 31  2  0  0  0  0
 23 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003370-3D
FYIcenter.com

 56 58  0     0  0  0  0  0  0999 V2000
   -3.3783    1.4799    0.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7305   -1.5148   -0.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566    1.9446   -0.3446 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4579   -2.0840    0.2197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4991    1.7891    2.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815   -1.9714   -2.3192 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452    1.8074   -2.4563 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6932   -1.7114    2.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6979    1.0465   -0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3540    0.0401   -1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2496    0.1019   -0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2323   -0.4711    0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6637    1.1923    1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0888   -1.3788   -0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    1.6199   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8342   -1.9454    0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0851    1.8519    0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4346    1.9546   -0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -1.8596   -0.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549   -1.9182    0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5057   -1.8958    1.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804    1.8851    1.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
$$$$