Molecule FYI-1003466

Home > Molecule

A

Molecule Summary:

ID: FYI-1003466
Names:
InChIKey: WSWCOQWTEOXDQX-MQQKCMAXSA-N
SMILES: C/C=C/C=C/C(=O)O

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003466 Edit

Molecule Structure InChIKey: WSWCOQWTEOXDQX-MQQKCMAXSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003466
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003466-3D
FYIcenter.com

 16 15  0     0  0  0  0  0  0999 V2000
    3.1307   -0.8944   -0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    1.2726   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5813   -0.3496    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893    0.4061   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2452    0.2043    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0738   -0.1541   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549   -0.5603    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1867    0.0754    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721   -1.4330    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6092    1.4906   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1634    1.2884   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0793   -1.2486    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6146    0.1903    0.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143    0.1891   -0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005   -1.6442    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0389   -0.5232   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 2247👍, 0💬