Molecule FYI-1015895

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A

Molecule Summary:

ID: FYI-1015895
Names:
InChIKey: IKEHOXWJQXIQAG-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(C(C)(C)C)c1

Received at FYIcenter.com on: 2025-10-29

Molecule ID: FYI-1015895 Edit

Molecule Structure InChIKey: IKEHOXWJQXIQAG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(O)c(C(C)(C)C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015895
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    4.0124    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
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015895-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
   -1.0223   -2.2039   -0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057    0.5691    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433    0.0619   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7249    2.1132    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4409    0.0426    1.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149    0.1075   -1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7482    1.0056    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0152   -1.2865   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0716    0.5649   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082   -1.7272   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -0.8015   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    1.5543    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713    2.5467   -0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622    2.4740    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2606    2.5380    0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8737    0.2656    2.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4208    0.5250    1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308   -1.0337    1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5127    0.5622   -1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0085    0.3992   -2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6626   -0.9752   -1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6057    2.0775    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409   -2.7888   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3778   -1.1594   -0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482    1.0813    0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692    2.0326   -0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0165    2.3250    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381   -3.0973   -0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$

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2025-11-06, 209👍, 0💬