Molecule FYI-1001281

Home > Molecule

A

Molecule Summary:

ID: FYI-1001281
SMILES: [O-]C(=O)C(=O)CC=C

Received at FYIcenter.com on: 2022-04-28

Molecule ID: FYI-1001281 Edit

Molecule Structure SMILES String: [O-]C(=O)C(=O)CC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001281
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001281-3D
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.1345    1.5130    1.2282 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4049    1.5119    1.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622    2.5250    1.0898 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1281    0.1757    1.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4497   -0.8304    1.6700 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6393    0.1565    1.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2236    0.3515    2.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0221   -0.5274    3.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0108    0.9269    0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9429   -0.8055    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9660    1.2865    3.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2966   -1.4681    2.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080   -0.3175    4.3775 H   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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 801👍, 0💬