Molecule FYI-1016051

A

Molecule Summary:

ID: FYI-1016051
Names:
InChIKey: IJOWTJHQDDQZGA-UHFFFAOYSA-N
SMILES: CC(O)C(=O)OCC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)OC(C)C(=O)OCC(=O)O

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

Molecule ID: FYI-1016051 Edit

Molecule Structure InChIKey: IJOWTJHQDDQZGA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(O)C(=O)OCC(=O)OC(C)C(=O)OC(C)C(=O)OCC(=O)OC(C)C(=O)OCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016051
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
   25.2837    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0712    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0712    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8588    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8588    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6464    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4339    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2215    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2215    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0091    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7966    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7966    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5842    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5842    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3717    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1593    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9469    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9469    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7344    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5220    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3096    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3096    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0971    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8847    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8847    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6722    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6722    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2783    2.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0316    1.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8947    0.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4608    0.0000 O   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  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  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016051-3D
FYIcenter.com

 57 56  0  0  1  0  0  0  0  0999 V2000
   10.8680   -0.2665    3.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1458   -0.5172    2.2196 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9242   -1.1986    2.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8609    0.7860    1.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7254    1.2019    1.2619 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0004    1.4249    1.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7500    2.6208    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0858    2.3634   -1.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2123    1.3268   -1.6510 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3623    3.4483   -1.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6762    3.3348   -2.6624 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1812    3.4741   -2.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1449    4.4178   -3.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542    4.8738   -4.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4373    4.7868   -3.3974 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9772    5.7848   -4.2833 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5385    7.1656   -3.8034 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5099    5.7034   -4.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2641    6.6531   -4.5598 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9296    4.4017   -4.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2430    4.1667   -4.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2215    4.2707   -6.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    4.5595   -6.9921 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4346    3.9751   -6.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4960    4.0718   -8.3181 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.6713    5.5373   -8.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6833    3.2737   -8.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4906    2.6383   -8.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7337    3.3812  -10.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0249    3.1549  -10.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8614    4.4295  -10.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4852    5.4842  -10.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0872    4.3056  -11.3023 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0182   -1.2088    4.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2718    0.3794    4.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8415    0.2073    3.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7288   -1.1758    1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2348   -0.5091    2.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7180    3.0939    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1537    3.3145    0.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8572    2.3724   -3.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9492    4.4531   -1.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8442    2.7175   -1.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5943    3.3644   -3.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6274    5.6117   -5.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8718    7.3442   -2.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4467    7.2544   -3.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9418    7.9592   -4.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5146    3.1418   -4.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9739    4.8571   -4.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5908    3.6374   -8.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6012    5.9359   -8.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8578    6.1608   -8.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7120    5.6600   -9.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8716    2.9007  -11.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5554    2.3313  -10.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2879    3.4185  -11.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  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 13  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  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 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
$$$$

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