Molecule Editor

Molecule ID: FYI-1016150 Edit

Molecule Structure InChIKey: PTNLHDGQWUGONS-OWOJBTEDSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016150
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2124    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
    3.6373    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
    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
    8.4870    0.0000    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016150-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    4.0562    0.5255   -0.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5611    0.6947    0.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040   -0.3707    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235    0.9576   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462   -1.3980    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4159   -0.6851    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7854    1.2587   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3081   -1.0968    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    0.2315    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4133    0.1284   -0.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8606   -0.2457   -0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2731    1.7906   -0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6382   -2.4395    0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781   -1.6721    0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.2978   -0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0374   -1.9012    0.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2004    1.1110   -0.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737   -0.2076   -1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0328   -1.2484    0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1647    1.4907   -0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2207    0.6195    1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  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  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  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$