Molecule Editor

Molecule ID: FYI-1015603 Edit

Molecule Structure InChIKey: ILSMDNVBZYGMDG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015603
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    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
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
   12.1244    1.4000    0.0000 C   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
   10.9119    3.5000    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
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    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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
    1.2124    3.5000    0.0000 O   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  2  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  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  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 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015603-3D
FYIcenter.com

 66 65  0  0  1  0  0  0  0  0999 V2000
    0.8034    0.1832   -0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3283    0.1803   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820    0.4974    1.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686   -1.1680   -0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3905   -1.2173   -0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9557   -2.5417   -1.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948   -2.5566   -1.2909 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0133   -2.3446    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0158   -3.8764   -1.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5393   -3.9490   -1.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0688   -5.2303   -2.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6078   -5.2776   -2.4686 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1869   -5.2186   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1123   -6.5437   -3.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110   -6.5604   -4.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2306   -7.7944   -5.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9041  -10.0061   -6.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$