Molecule FYI-1016648

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Molecule Summary:

ID: FYI-1016648
Names:
InChIKey: MAQOMGGNMKHFFK-HOEAWKEXSA-N
SMILES: CCC/C=C/CCC/C=C\\CCCCCCCC(=O)OCCCC

Received at FYIcenter.com on: 2026-02-04

Molecule ID: FYI-1016648 Edit

Molecule Structure InChIKey: MAQOMGGNMKHFFK-HOEAWKEXSA-N

Molecule Structure SMILES String: CCC/C=C/CCC/C=C\CCCCCCCC(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016648
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    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    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    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  2  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  2  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  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016648-3D
FYIcenter.com

 64 63  0  0  0  0  0  0  0  0999 V2000
    3.6095   11.5428    1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6317   10.8836    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4940    9.8946    1.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889    9.2309    0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081    7.9110    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5111    7.2490   -0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3608    6.2702    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3762    5.6277   -0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2277    4.6057   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1755    3.9130   -0.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5246    4.0876   -2.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9816    4.5094   -2.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0124    3.4987   -1.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8256    2.1309   -2.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8121    1.1020   -2.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5618   -0.2367   -2.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5306   -1.2971   -2.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1891   -2.6566   -2.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2662   -2.9168   -3.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9863   -3.5752   -2.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2932   -4.7587   -1.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6762   -5.9566   -2.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9704   -7.1980   -2.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3070   -8.4492   -2.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002   12.2539    0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1045   12.0848    2.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426   10.7958    1.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626   11.6558    0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1104   10.3692   -0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546    9.1479    1.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390   10.4149    2.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2305    9.8712   -0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7746    7.2601    0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1584    7.9914   -1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9818    6.7200   -1.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262    5.4999    0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8761    6.7917    0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0184    6.4116   -1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8397    5.1444   -1.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0609    4.4054    0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7270    3.1652   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    4.8426   -2.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2992    3.1570   -2.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1572    5.4757   -2.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1437    4.6706   -3.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9570    3.4167   -0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0163    3.8785   -2.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9331    2.2266   -3.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8184    1.7508   -2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6800    0.9931   -1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6586   -0.1258   -3.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -0.5584   -2.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4499   -1.3679   -1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5599   -1.0369   -2.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2062   -4.6080   -1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5747   -4.9438   -0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642   -6.0913   -2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3994   -5.7765   -3.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8843   -7.0435   -2.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2504   -7.3510   -1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7820   -9.3106   -2.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3811   -8.6567   -2.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
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  8  9  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
M  END
$$$$

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