Molecule FYI-1009865

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A

Molecule Summary:

ID: FYI-1009865
Names:
InChIKey: IZXYHAXVIZHGJV-UHFFFAOYSA-N
SMILES: CC(C)C1C=CC(C)(O)CC1

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009865 Edit

Molecule Structure InChIKey: IZXYHAXVIZHGJV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C1C=CC(C)(O)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009865
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.2498    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    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  2  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  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009865-3D
FYIcenter.com

 29 29  0     1  0  0  0  0  0999 V2000
   -3.1384    0.2308    0.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    0.1236    0.7145 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3921    1.1652   -0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    1.3538    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8851    0.0392   -0.1019 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3883   -0.2986    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211   -1.0769    0.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1663   -1.1190    0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772   -0.2783   -1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595   -1.0593   -1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922    0.9195    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342    0.5906    1.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056    0.9059   -1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859    2.1348   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197    1.7545    1.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108    2.1231   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514   -0.9665    0.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463   -1.9469    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7315   -2.0310    0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2634   -0.4551   -2.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139   -1.1669   -1.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7314    0.5416   -2.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222   -0.4370   -1.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444   -1.4452   -1.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5998   -1.9289   -1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9921    1.5582   -0.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    0.5967   -0.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3131    1.5259    0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    0.3603    1.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
$$$$

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2024-05-29, 950👍, 0💬