Molecule Editor

Molecule ID: FYI-1005924 Edit

Molecule Structure InChIKey: RZOJXFLQFQMUAG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2OCCCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c3ccc2cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005924
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   11.8055   10.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6814    9.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2841    8.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    7.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5937    6.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2824    4.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6787    3.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8176    2.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7490    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5352    1.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2466    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2461    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9581    1.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447    1.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6767    2.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165    3.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8745    0.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    4.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037    6.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9043    7.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    8.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191    9.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6804   10.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489   11.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9627   11.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5528   13.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774   12.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851   11.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4986   10.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5044   11.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2968   12.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0833   13.3405    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  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 11  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 19  2  0  0  0  0
 21 19  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 24  1  0  0  0  0
 26 25  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
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32  2  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005924-3D
FYIcenter.com

 62 64  0  0  0  0  0  0  0  0999 V2000
    1.9778    5.1836   -5.0637 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205    5.5577   -3.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    6.9019   -3.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2194    7.7229   -4.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    9.1916   -5.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3186   10.6258   -4.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   11.5119   -3.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9984   12.9711   -3.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   13.4158   -2.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320   14.5907   -1.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   14.8356   -0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855   15.8810    0.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8289   13.8074    0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7407   13.7712    1.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537   12.7314    2.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5403   11.7192    1.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6258   11.8458    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428   12.8900   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0030   10.4638    2.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812   10.4882    3.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    9.3035    1.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390    9.3331    0.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3516    7.9588    0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6458    8.0463    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2184    6.6538   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$