Molecule FYI-1006108

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Molecule Summary:

ID: FYI-1006108
Names:
InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N
SMILES: O=C(O)/C=C/c1ccc(O)cc1

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006108 Edit

Molecule Structure InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

Molecule Structure SMILES String: O=C(O)/C=C/c1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006108
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    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
    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    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  6  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  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006108-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    4.4366    0.3797   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2176    1.1412   -0.2835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9236   -1.0626    0.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3430   -0.2893    0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    1.0061    0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186   -1.3600   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2189    1.2308    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944   -1.1352   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945    0.1602   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915   -0.5239    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440    0.4110   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4721    0.0420   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012    1.8672    0.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8474   -2.3766   -0.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967    2.2441    0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2716   -1.9731   -0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3902   -1.5472    0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8139    1.4413   -0.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6043    1.3318    0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1792    0.9496   -0.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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