Molecule Editor

Molecule ID: FYI-1011427 Edit

Molecule Structure InChIKey: AKFXWEJMJZARKT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCC)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011427
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    9.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   12.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    5.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6226    4.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4581    5.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9914    3.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7581    2.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1559    2.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7871    3.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0204    4.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9226    1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2914    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3204    1.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0871    0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4849    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 19 25  1  0  0  0  0
 19 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011427-3D
FYIcenter.com

 52 53  0  0  0  0  0  0  0  0999 V2000
    4.8080    0.0446   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587    0.3083   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5612    1.6935    0.3149 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2473    2.0106    1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2391    2.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599    3.4390    1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    3.9537    2.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    5.2632    2.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    6.0652    1.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169    7.4416    1.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9332    7.9327    1.9693 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178    8.0451   -0.0332 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3122    9.3799   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4725   10.4076    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051   10.3810    0.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8340   11.0740   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350   11.7209   -1.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989   10.9128   -1.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187   11.5393   -2.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5786   11.3982   -2.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961   10.6299   -2.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343   10.5659   -2.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189   11.1688   -3.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4066    9.8356   -1.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8216   10.0496   -1.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0739   11.2196   -0.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1882   10.0045   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235   10.1485   -0.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248    5.5516    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3300    4.2491    0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8334   -0.9850   -1.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7092    0.2332   -0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    0.7268   -1.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4448   10.1716    1.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2132   11.9039   -3.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6313   11.0236    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5981   12.1299   -1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4703    9.4167   -0.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614    9.6611    0.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5674    6.1444   -0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7082    3.8730   -0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  2  0  0  0  0
  7  8  2  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 21 27  2  0  0  0  0
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 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
$$$$