Molecule FYI-1016066

A

Molecule Summary:

ID: FYI-1016066
Names:
InChIKey: WESFXXGHHCEJDY-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(=O)OCCCCOC(=O)c1ccc(C(=O)O)cc1

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

Molecule ID: FYI-1016066 Edit

Molecule Structure InChIKey: WESFXXGHHCEJDY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCCCOC(=O)c1ccc(C(=O)O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016066
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.7392    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7392    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267    4.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267    1.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    4.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308    5.9214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7964    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9183    2.2367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1453    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0829    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2570    1.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3555    2.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4221    1.8008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5406    2.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4207    4.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8190    2.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1813    2.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5269    2.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7271    2.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4490    1.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4954    0.1305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5166    2.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016066-3D
FYIcenter.com

 48 48  0     0  0  0  0  0  0999 V2000
    4.4833    0.1865    0.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898   -2.1208   -0.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4889    1.3186    2.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294    2.2102   -2.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2399    0.4969   -2.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035   -3.7843   -0.8488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1489    1.9021    2.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7349    1.1141    0.7585 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856    3.0167   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839    2.0024   -0.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2637   -1.7980    1.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694    2.4461    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -2.1892   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5418   -0.9987    1.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278    2.5971   -1.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788   -2.9517   -0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9277    1.2780    1.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.6386   -2.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5521   -2.6628   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976   -1.6985   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8612   -1.7338   -0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -0.7576    0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5623    0.1125    0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8434   -0.8284   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987    0.1480    1.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5865    1.0561    1.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053    3.9073   -0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.3388    0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    1.1243   -0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903    1.6415   -1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2949   -2.6983    1.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -1.1989    1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -1.2867   -1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215   -2.8041   -0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6035    3.2166    0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4627    2.1459   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4122   -1.5747    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7728   -3.8684   -0.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8470    2.5341    2.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  1  0  0  0  0
  4 47  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  2  0  0  0  0
  7 26  1  0  0  0  0
  7 48  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 15  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 16  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 43  1  0  0  0  0
 22 25  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
$$$$

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