Molecule FYI-1003046

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Molecule Summary:

ID: FYI-1003046
Names:
InChIKey: UFWIBTONFRDIAS-UHFFFAOYSA-N
SMILES: c2ccc1ccccc1c2

Received at FYIcenter.com on: 2023-05-09

Molecule ID: FYI-1003046 Edit

Molecule Structure InChIKey: UFWIBTONFRDIAS-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1ccccc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003046
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    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
    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
    3.6373    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
    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
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003046-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
    0.0000   -0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7076    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.3944    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327    0.6959   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327   -0.6958   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489   -2.4822    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489    2.4821   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489   -2.4822   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    2.4821    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733   -1.2390   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3732    1.2391   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3733   -1.2390   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3732    1.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2023-05-31, 691👍, 0💬