Molecule FYI-1016273

A

Molecule Summary:

ID: FYI-1016273
Names:
InChIKey: JOZSMVIGNGINRL-AOQSKOSGSA-N
SMILES: CC/C=C/C(C)=C/CC(C)(O)C(O)CCC(=O)OC

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016273 Edit

Molecule Structure InChIKey: JOZSMVIGNGINRL-AOQSKOSGSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016273
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    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
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    0.1876    0.0000 O   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
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016273-3D
FYIcenter.com

 45 44  0  0  1  0  0  0  0  0999 V2000
    3.8086    2.8219    1.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513    1.4286    1.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8789    0.3914    2.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6710   -0.6291    1.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2238   -1.6691    2.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842   -1.6395    4.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9642   -2.6494    2.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6393   -3.7932    2.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1950   -3.7526    2.8226 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7182   -3.8986    1.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6272   -2.4830    3.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7580   -4.8769    3.7542 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2432   -6.1559    3.3571 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2901   -4.9955    3.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9962   -3.7585    4.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4868   -3.9592    4.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0869   -4.9701    4.1513 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0731   -2.8190    4.9502 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4986   -2.8793    4.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3924    3.5708    0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9004    2.9038    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4777    3.0688    2.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690    1.2264    0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2561    1.3884    1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5585    0.5196    3.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9393   -0.7001    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3870   -0.7959    4.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9372   -1.5840    4.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4524   -2.5449    4.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1082   -2.6570    1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2739   -4.7303    2.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3242   -3.8025    3.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3924   -3.0667    0.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3835   -4.8338    0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8122   -3.8691    1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1832   -1.7852    2.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3846   -4.6960    4.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7412   -6.4557    2.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7093   -5.2714    2.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5243   -5.8547    4.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6184   -3.5225    5.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8499   -2.9028    3.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8687   -1.9348    5.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8989   -2.9996    3.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8340   -3.6935    5.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
M  END
$$$$

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2025-12-09, 181👍, 0💬