Molecule Editor

Molecule ID: FYI-1016686 Edit

Molecule Structure InChIKey: DIOPHJAICQVXPM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCC(O)COc2ccc(C(C)(C)c1ccc(OCC(O)COCC)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016686
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
   13.1987   11.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014   11.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014   13.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8041   11.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6069   11.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4095   11.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4095    9.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2122    9.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    9.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    9.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    7.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203    9.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    9.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6069    9.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9757    9.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014   10.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6310    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8041    8.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014    7.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014    6.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8041    5.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8041    4.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014    3.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6069    3.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6069    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1987    8.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1987    9.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    9.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944    0.0000    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  2  0  0  0  0
 15  4  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  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 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 13 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016686-3D
FYIcenter.com

 67 68  0     1  0  0  0  0  0999 V2000
   -4.6735    0.1488   -0.7211 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9873   -1.3910   -0.8745 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9982   -1.3321    0.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1471   -2.7980    0.9390 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1863   -2.7823   -0.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539    3.3228   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729    2.4851   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376    2.4613    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770    4.2965   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4891    0.8112   -1.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$