Molecule Editor

Molecule ID: FYI-1006699 Edit

Molecule Structure InChIKey: QLXLPYPFPVYAHI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCCC(=O)OCCCCOCCCCO)OCCCCOCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006699
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   32.7358    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    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
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  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  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006699-3D
FYIcenter.com

 72 71  0  0  0  0  0  0  0  0999 V2000
    1.0382   -0.1108    0.2296 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428   -0.0129    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9677    1.2109   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368    2.3815   -0.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7975    3.6804   -1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7238    3.5523   -2.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364    4.8664   -2.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1637    5.9454   -2.1313 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    4.6759   -3.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8095    5.7177   -4.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2335    8.0993   -0.1372 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -0.9459    0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343   -1.7480    1.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3818   -3.1569    1.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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 30 72  1  0  0  0  0
M  END
$$$$