Molecule Editor

Molecule ID: FYI-1006698 Edit

Molecule Structure InChIKey: IDKCHBXABZYDOZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCCCCOCCCCO)c1ccc(C(=O)OCCCCOCCCCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006698
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   19.3990   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.9000    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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  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 18  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 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  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 17  1  0  0  0  0
 32 31  2  0  0  0  0
 32 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006698-3D
FYIcenter.com

 70 70  0  0  0  0  0  0  0  0999 V2000
    1.5526    0.3041    0.7910 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964    0.0285   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0487   -1.1581   -0.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2666   -1.8599    1.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527   -3.0618    1.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281   -4.0695    0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018   -5.3230    0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5525    2.3497   -0.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621    3.3431   -1.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    3.0244   -2.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9485    4.0987   -3.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1452    4.1105   -3.4852 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0608    5.0932   -3.5439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704    6.4217   -3.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7731    7.1416   -4.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$