Molecule FYI-1016647

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A

Molecule Summary:

ID: FYI-1016647
Names:
InChIKey: WIBFFTLQMKKBLZ-SEYXRHQNSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)OCCCC

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

Molecule ID: FYI-1016647 Edit

Molecule Structure InChIKey: WIBFFTLQMKKBLZ-SEYXRHQNSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016647
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  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  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-1016647-3D
FYIcenter.com

 66 65  0  0  0  0  0  0  0  0999 V2000
    2.7572   11.4450   -1.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7790   10.6798   -1.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6294    9.7827   -0.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6572    9.0084   -1.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4928    8.1210   -0.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221    7.3435   -1.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3570    6.4538   -0.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722    5.6973   -1.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2154    4.7579   -0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1613    3.9891   -1.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5188    3.9889   -2.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9795    4.3764   -3.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0053    3.4311   -2.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8068    1.9932   -2.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7863    1.0307   -2.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5296   -0.3794   -2.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4898   -1.3785   -2.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1451   -2.7922   -2.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2319   -3.1372   -3.3018 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9287   -3.6383   -1.8401 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2161   -4.7573   -1.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5860   -6.0547   -2.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639   -7.2114   -1.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1947   -8.5545   -1.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4208   11.3885   -2.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614   10.0743   -2.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847    9.0781   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1443   10.3906   -0.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3102    9.7064   -2.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1503    8.3926   -2.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8405    7.4217   -0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0011    8.7356   -0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1768    8.0393   -2.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0164    6.7276   -2.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7071    5.7501   -0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8697    7.0632   -0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0205    6.4217   -2.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8354    5.1217   -2.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0370    4.6914    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7089    3.3069   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8937    4.6831   -3.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2914    3.0023   -3.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1570    5.3938   -2.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1467    4.4083   -4.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9463    3.4851   -1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0118    3.7722   -2.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9096    1.9496   -4.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7964    1.6481   -2.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6540    1.0527   -1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4941   -0.6697   -2.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4021   -1.3198   -1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5210   -1.1577   -2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1314   -4.5932   -1.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4915   -4.8150   -0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6726   -6.1989   -1.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3138   -6.0018   -3.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7801   -7.0499   -1.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8950   -8.5859   -2.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6616   -9.3500   -1.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2670   -8.7622   -1.8806 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  1  0  0  0  0
  4 32  1  0  0  0  0
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 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  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 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
M  END
$$$$

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