Molecule FYI-1004079

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A

Molecule Summary:

ID: FYI-1004079
Names:
InChIKey: WVCHIGAIXREVNS-UHFFFAOYSA-N
SMILES: O=c2cc(O)c1ccccc1c2=O

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004079 Edit

Molecule Structure InChIKey: WVCHIGAIXREVNS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2cc(O)c1ccccc1c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004079
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    3.5000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    3.6373    5.6000    0.0000 O   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
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004079-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
   -0.1801    2.9971    0.0202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328   -2.3574    0.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2848   -0.5381   -0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6399    0.6692   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752   -0.7094    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4672    1.6425   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0229   -1.1766    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821    1.0815   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123   -1.6496    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535    1.2690   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1245   -0.1568   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0206    0.1457   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7358   -1.2170    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2415    2.1378   -0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072   -2.7165    0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5652    1.9884   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0529    0.4838   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449   -1.9415    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0146    3.4966    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 19  1  0  0  0  0
  2  7  2  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
$$$$

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2023-09-05, 335👍, 0💬