Molecule FYI-1015457

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A

Molecule Summary:

ID: FYI-1015457
Names:
InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(O)CO

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015457 Edit

Molecule Structure InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015457
FYIcenter.com

 25 24  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015457-3D
FYIcenter.com

 65 64  0  0  1  0  0  0  0  0999 V2000
    2.8205    0.0304   11.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    0.9287   10.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6850    0.1370    9.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7093    1.0340    9.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5419    0.2243    8.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5682    1.1075    7.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3925    0.2826    6.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    1.1745    5.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2598    0.4285    4.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2068    1.0370    4.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5216    2.5017    4.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9624    2.7499    4.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9558    2.1782    3.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530    2.8068    2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7212    2.2344    1.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4826    2.8884   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4335    2.3654   -1.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1622    3.0577   -2.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2930    3.8733   -2.7483 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9858    2.5262   -3.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2692    2.0125   -4.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6102    2.8024   -5.8619 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.2257    4.1680   -5.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1113    2.6959   -6.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4473    3.4243   -7.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3162   -0.7777   11.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1467   -0.4180   10.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4856    1.3850   11.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217    1.7430   10.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0371   -0.3227    8.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2016   -0.6785   10.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3645    1.4931    9.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1994    1.8491    8.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8879   -0.2345    7.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0531   -0.5905    8.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2269    1.5686    8.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625    1.9241    6.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7364   -0.1729    5.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9034   -0.5296    6.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0557    1.6281    6.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8825    1.9844    5.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0893   -0.6373    4.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7926    0.4388    3.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8598    2.9878    4.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3180    2.9936    3.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1325    2.3071    5.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1198    3.8307    4.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8371    1.0912    3.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9750    2.3571    3.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8762    3.8940    2.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7363    2.6276    1.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5719    1.1472    1.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7471    2.4062    1.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4442    2.7169   -0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2859    1.2863   -1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4715    2.5543   -0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1865    2.0265   -4.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5768    0.9682   -4.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0311    2.4269   -6.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8321    4.5605   -5.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4060    1.6520   -6.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7109    3.1090   -5.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8386    3.1556   -8.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
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  6  7  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  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 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 65  1  0  0  0  0
M  END
$$$$

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2025-11-06, 541👍, 0💬