Molecule Editor

Molecule ID: FYI-1012177 Edit

Molecule Structure InChIKey: DECFQJRGLCQZIS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC(CC(CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012177
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   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  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 10  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27  8  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012177-3D
FYIcenter.com

 68 68  0  0  1  0  0  0  0  0999 V2000
   11.5924   -2.6373   -9.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8077   -2.0009   -8.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9877   -2.3273   -7.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8765   -1.9121   -6.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6202   -0.4051   -6.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9198    0.0595   -4.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944   -0.0939   -4.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8252   -1.4288   -4.2770 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3819   -1.9650   -2.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0089   -1.2412   -1.5984 C   0  0  3  0  0  0  0  0  0  0  0  0
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   11.1133   -6.2137   -0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9927   -7.1473    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4880   -8.4206    0.0642 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732   -8.9466   -1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2969   -6.7516    1.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0880   -7.5253    2.3499 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1735   -8.3712    2.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6939   -5.4695    1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2285    0.2103   -1.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3745   -1.3144   -4.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1816   -1.5171   -6.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 33  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
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M  END
$$$$