Molecule Editor

Molecule ID: FYI-1016108 Edit

Molecule Structure InChIKey: BNIBCDOLRJZSIY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1COC(=O)CCCCC(=O)OCOCCOC(=O)CCCCC(=O)OCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016108
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
   20.6115    3.5283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    5.6283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7035    3.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1574    0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7577    0.0000    0.0000 O   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  2  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  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  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  2  0  0  0  0
 26 24  1  0  0  0  0
 26 27  1  0  0  0  0
  6 27  1  0  0  0  0
 15 28  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016108-3D
FYIcenter.com

 62 62  0  0  1  0  0  0  0  0999 V2000
    1.4716    5.2813    3.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8440    6.0155    3.6705 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2489    6.7561    5.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605    7.8985    6.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690    8.5833    7.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900    8.9244    7.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668    8.9420    8.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7803    9.8611    9.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1445    9.1961    9.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6108    9.3885   10.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7674    8.5255    9.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9374    8.7900    9.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5084    7.4789    8.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1550    7.1889    8.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5632    6.0457    7.7546 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1189    6.2219    8.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738    4.9829    7.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1036    4.6730    7.7312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4468    3.7673    6.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    3.6830    7.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1324    2.9440    5.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    3.0346    5.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3945    2.3775    4.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7403    3.0720    4.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2769    2.8018    2.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4156    2.4498    2.7787 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4726    3.2246    1.9083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0361    3.0865    1.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8170    3.9799    2.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0216    5.0788    3.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 29 62  1  0  0  0  0
M  END
$$$$