Molecule FYI-1007305

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A

Molecule Summary:

ID: FYI-1007305
Names:
InChIKey: VHBFFQKBGNRLFZ-UHFFFAOYSA-N
SMILES: O=c2cc(c1ccccc1)oc3ccccc23

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007305 Edit

Molecule Structure InChIKey: VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2cc(c1ccccc1)oc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007305
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007305-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
   -0.1912    0.8759    0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -2.8170   -0.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985   -0.4860   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820   -0.2686   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5569    0.7459    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -0.0154   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814   -1.7034   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0826   -1.5098   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5934   -0.5586   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3086    1.9152    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9076   -0.9749    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5493    1.1851   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3428    0.6127    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7021    1.8470    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2815   -0.7357    0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9233    1.4240   -0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7894    0.4636    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6890   -2.4015   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1096   -1.5103   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8179    2.8804    0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5502   -1.9122    0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8983    1.9475   -0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4280    0.5639    0.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2895    2.7562    0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9559   -1.4810    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194    2.3572   -0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    0.6501    0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 1444👍, 0💬