Molecule FYI-1005325

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Molecule Summary:

ID: FYI-1005325
Names:
InChIKey: IXQGCWUGDFDQMF-UHFFFAOYSA-N
SMILES: CCc1ccccc1O

Received at FYIcenter.com on: 2023-10-25

Molecule ID: FYI-1005325 Edit

Molecule Structure InChIKey: IXQGCWUGDFDQMF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005325
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    3.6373    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005325-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    0.6604   -2.0957    0.1167 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758    0.2897    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9381    0.4252    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0990   -0.9654    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168    1.4363    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7514    0.5838   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664   -1.0741   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843    1.3277   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2591    0.0725   -0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1165    1.2928    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3081   -0.4376    1.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1181    2.4208    0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326   -0.2854   -1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148    0.6870   -0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4407    1.4726   -1.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9277   -2.0454   -0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3015    2.2204   -0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3238   -0.0119   -0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0914   -2.8677   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2023-11-02, 1084👍, 0💬