Molecule Editor

Molecule ID: FYI-1016069 Edit

Molecule Structure InChIKey: OHQKKKGTONELLG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCCO)OCCCCOC(=O)CCCCOC(=O)c1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016069
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
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   12.8459    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9575    1.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0560    2.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1226    1.8008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1757    2.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081    1.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7175    0.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623    2.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455    3.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    4.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708    4.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4876    2.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5333    1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4600    0.0000 O   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016069-3D
FYIcenter.com

 59 59  0  0  0  0  0  0  0  0999 V2000
    8.1083   -0.8001    1.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7438   -0.9552    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1266   -2.1588   -0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7049   -3.4714    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1882   -3.5862    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7815   -4.8988    0.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -4.9471    1.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9272   -0.1179   -0.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4630    1.0538    0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9131    2.3023   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4422    3.6135    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9308    3.8310    1.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3535    3.7661    1.6637 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9152    4.9383    2.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6392    6.0402    1.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8352    4.6913    3.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2690    4.3970    2.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3662    5.2711    1.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1629    5.0241    2.8676 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5840    6.1233    3.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3903    7.2841    3.2194 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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  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
$$$$