Molecule FYI-1015494

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A

Molecule Summary:

ID: FYI-1015494
Names:
InChIKey: PRVQHYNJYCHSLU-UHFFFAOYSA-N
SMILES: CCCCCCCCOC(=O)C(O)CC(=O)O

Received at FYIcenter.com on: 2025-09-05

Molecule ID: FYI-1015494 Edit

Molecule Structure InChIKey: PRVQHYNJYCHSLU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCOC(=O)C(O)CC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015494
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  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
  5 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015494-3D
FYIcenter.com

 39 38  0     1  0  0  0  0  0999 V2000
   -1.3209   -0.5447   -0.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7935   -1.4346   -0.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4166   -2.5004    0.3862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0228    2.7084    0.7941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4254    1.4655   -1.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    0.2913   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9327   -0.2640    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4191   -0.7460    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    0.7522   -0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -0.1459   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4254    0.1243    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0705   -1.1580    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5330    1.1178   -0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6789   -0.5586   -0.3467 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4276   -1.3338    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    0.6109    0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8575    1.6156    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589    1.1412    0.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    0.6818   -1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128   -0.6155    1.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0789   -1.1407   -0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642   -1.1248    1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5861   -1.6000   -0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9419    1.1300   -1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9323    1.6104    0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803    0.2194   -1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8755    0.7315    0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5290   -0.7456   -0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5404   -0.2329    1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535   -1.4894    1.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0645   -2.0273   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4656    1.4680   -1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125    0.6489   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4774    1.9879    0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863   -0.2376   -1.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3336    0.2611    1.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9659    1.1381    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6825   -2.1213   -0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6456    3.3542    0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  1  0  0  0  0
  2 38  1  0  0  0  0
  3 15  2  0  0  0  0
  4 17  1  0  0  0  0
  4 39  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2025-09-24, 454👍, 0💬