Molecule Editor

Molecule ID: FYI-1003040 Edit

Molecule Structure InChIKey: DHSPGULLHCTPQS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c3ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCCO)cc1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003040
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
   27.8860    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.4611    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
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 37 36  1  0  0  0  0
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 39 38  1  0  0  0  0
 39 34  2  0  0  0  0
 40 37  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003040-3D
FYIcenter.com

 75 77  0  0  0  0  0  0  0  0999 V2000
    5.5795    1.9782    3.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366    1.4881    2.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9660    0.2276    3.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4078   -0.8608    2.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3673   -2.0237    3.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690   -1.9262    4.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5631   -3.0891    5.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3515   -4.3506    4.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2430  -13.8210    9.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$