Molecule FYI-1003188

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A

Molecule Summary:

ID: FYI-1003188
Names:
InChIKey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N
SMILES: O=C/C=C/c1ccccc1

Received at FYIcenter.com on: 2023-05-19

Molecule ID: FYI-1003188 Edit

Molecule Structure InChIKey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N

Molecule Structure SMILES String: O=C/C=C/c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003188
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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    0.7000    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
    2.4249    2.8000    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
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0001    0.0000 O   0  0  0  0  0  0  0  0  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
  6  1  1  0  0  0  0
  6  7  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003188-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    4.3579    0.4145   -0.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4363   -0.2819    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8263    1.0571    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3970   -1.2865   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772    1.3916    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -0.9521   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725   -0.6306    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379    0.3870   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.1995   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3880   -0.2986    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1150    1.8710    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121   -2.3357   -0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820   -1.6553    0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820    2.4339    0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4962   -1.7341   -0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1899    0.6473   -0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8888    1.2254   -0.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005   -1.3484    0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  5  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  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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2023-06-12, 617👍, 0💬