Molecule FYI-1016650

A

Molecule Summary:

ID: FYI-1016650
Names:
InChIKey: NLSGDZFUTMJFEW-UHFFFAOYSA-N
SMILES: CCC(CC)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2

Received at FYIcenter.com on: 2026-02-04

Molecule ID: FYI-1016650 Edit

Molecule Structure InChIKey: NLSGDZFUTMJFEW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(CC)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)CO)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016650
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
   10.3995    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   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
    4.8498    1.4000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    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    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7995    2.9876    0.0000 C   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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  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 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  1 28  1  0  0  0  0
  3 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016650-3D
FYIcenter.com

 61 62  0  0  1  0  0  0  0  0999 V2000
    2.9353    0.4159   -1.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5518    0.0755   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0608    1.0705    1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4732    2.4972    0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517    2.6070    0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    0.6003    2.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -0.7581    2.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569   -1.2033    4.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510   -0.3016    5.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709   -0.6267    6.3608 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317   -2.0198    6.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820   -2.2372    8.1289 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0705   -3.6341    8.3707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457   -1.7100    8.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2261   -1.9673   10.3682 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1787    1.0491    4.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041    1.4943    3.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6211    1.1051    1.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3249    2.2763    1.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7201    2.2952    1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4596    1.1380    1.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8211    1.0354    1.3489 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5180    2.2275    1.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0193    1.9537    1.7813 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7043    3.1764    2.0812 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3478    0.8775    2.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7564    0.6765    2.9355 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7866   -0.0403    0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3893   -0.0601    0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173   -0.3401   -2.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0201    0.4104   -1.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5444    1.3836   -1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137   -0.9434    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597   -0.0131   -0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7870    3.2538    1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    1.9275   -0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772    3.6242    0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4866    2.4180    1.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752   -1.5227    1.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085   -2.2701    4.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4400   -2.5657    6.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6841   -2.4347    6.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9414   -4.0703    8.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3811   -2.2116    8.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2799   -1.8265   10.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    1.7638    5.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7023    2.5519    3.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133    3.2088    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3435    3.0099    0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3854    1.6186    0.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  2  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
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 12 14  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 29  2  0  0  0  0
 19 20  2  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
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 28 60  1  0  0  0  0
 29 61  1  0  0  0  0
M  END
$$$$

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2026-03-22, 417👍, 0💬