Molecule FYI-1016489

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A

Molecule Summary:

ID: FYI-1016489
Names:
InChIKey: WDHUQEZYFGNOKW-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCOC(=O)c1ccc(C)o1

Received at FYIcenter.com on: 2026-01-12

Molecule ID: FYI-1016489 Edit

Molecule Structure InChIKey: WDHUQEZYFGNOKW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCOC(=O)c1ccc(C)o1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016489
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
   11.7847    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    1.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.5624    0.0000 C   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  3  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 11  2  1  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  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016489-3D
FYIcenter.com

 51 51  0     0  0  0  0  0  0999 V2000
   -1.7738   -1.6042    0.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5633   -1.5719   -1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432   -2.5116    2.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181    2.9525   -0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973    2.3947    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3373    2.8895   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257    2.4873   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7608    1.4801    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5943    1.9637    0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6863    0.4070   -0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141    2.0373    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0417   -1.0124   -0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    1.5807    1.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0849   -1.5867    0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5036    1.6789    0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934   -2.0938    0.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218   -2.0589    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7769   -2.4429    0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8591   -1.6460   -1.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6453   -2.1748   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453   -1.1685   -2.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    2.4130   -1.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    3.9994   -0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999    1.3423    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9596    2.9479    1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0368    3.2654   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174    3.5601    0.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7507    3.5321   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836    1.9199   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7989    1.5349    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    1.1786    1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5482    2.5445    1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    0.9251    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3689    0.6935   -1.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6851    0.3864   -1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    1.4230   -0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2257    3.0700   -0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0626   -1.0292    0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0284   -1.6550   -1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8913    0.5423    1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0190    2.1855    2.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997   -0.9985    1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3896   -2.6127    0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7481    2.7119    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6208    1.0564   -0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249    1.3398    1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -2.8632    1.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -2.3455   -0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052   -1.7678   -3.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2144   -1.2338   -3.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390   -0.1238   -2.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 938👍, 0💬