Molecule FYI-1004057

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A

Molecule Summary:

ID: FYI-1004057
Names:
InChIKey: CUTHPMLCCJUUEO-UHFFFAOYSA-N
SMILES: C=Cc1cc(C)cc(O)c1

Received at FYIcenter.com on: 2023-08-09

Molecule ID: FYI-1004057 Edit

Molecule Structure InChIKey: CUTHPMLCCJUUEO-UHFFFAOYSA-N

Molecule Structure SMILES String: C=Cc1cc(C)cc(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004057
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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
    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 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  1  2  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  8  2  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004057-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    1.0671   -2.6881   -0.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    0.9580   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626    0.3532    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0304    1.3307    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205   -0.3925   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143   -0.9973    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7273   -1.3702    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    2.0026   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3612    0.7426    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136    0.0612   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2358    2.3856    0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7666   -0.6826   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3671   -1.7797    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7647    2.2641    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    1.6522   -0.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    2.9086   -0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5624    1.6902    0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350   -2.7633   -0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4172    0.4577   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3058   -0.8765   -0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-09-05, 2290👍, 0💬