Molecule FYI-1016071

A

Molecule Summary:

ID: FYI-1016071
Names:
InChIKey: LERHUIIYMDMWNC-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(=O)OCCCCOC(=O)CCCCC(=O)O

Received at FYIcenter.com on: 2025-11-12

Molecule ID: FYI-1016071 Edit

Molecule Structure InChIKey: LERHUIIYMDMWNC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCCCOC(=O)CCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016071
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
    5.4867    2.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6247    1.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8613    2.0524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1075    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2672    2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3947    1.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5643    2.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8273    1.5347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9388    2.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9300    3.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1760    1.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4509    2.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7167    1.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0018    2.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2578    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3683    0.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2655    2.6197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    2.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3410    1.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771    2.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0039    3.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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  9 10  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016071-3D
FYIcenter.com

 50 49  0  0  0  0  0  0  0  0999 V2000
    7.3497   -3.1564   -2.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5481   -2.9333   -2.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3980   -3.4905   -2.9152 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2581   -2.0238   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2917   -1.3976   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0190   -0.4722    0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0534    0.1557    1.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7908    1.0105    2.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2429    0.5881    3.9974 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9103    2.2887    2.4855 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6009    3.1975    3.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1093    3.0578    3.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8844    3.9921    4.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3965    3.8195    3.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7974    2.4831    4.2907 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9521    2.2438    5.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8147    3.0823    6.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3152    0.8008    5.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7243    0.2918    7.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1883    0.2830    7.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5182   -0.5781    6.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8996   -2.0298    6.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8706   -2.5309    5.7522 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0929   -2.7251    7.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3306   -3.2316   -2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7576   -1.2338   -1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0121   -2.6158   -0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7760   -2.1903    0.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5166   -0.8337   -0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5402    0.3180    0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7906   -1.0373    1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5135   -0.6163    2.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2926    0.7624    1.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2976    3.0366    4.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2813    4.2098    3.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3654    3.2674    2.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4055    2.0176    3.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5895    3.7835    5.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6177    5.0336    3.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9379    4.5512    4.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6952    3.9954    2.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4080    0.7361    5.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1051   -0.7173    7.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8119    1.3089    7.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8803   -0.0652    8.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7712   -0.2457    5.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4287   -0.4873    6.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3610   -2.1945    7.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$

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