Molecule FYI-1001367

Home > Molecule

A

Molecule Summary:

ID: FYI-1001367
SMILES: CCOC(=O)

Received at FYIcenter.com on: 2022-06-11

Molecule ID: FYI-1001367 Edit

Molecule Structure SMILES String: CCOC(=O)

Download SDF Download SVG Structure in 2D SDF:

FYI-1001367
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
   12.6348    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100    1.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5062    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2150    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7977    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6388    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 18  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001367-3D
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.9659   -0.0507    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    0.0367    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087    1.1897   -0.6705 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9188    2.3561    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056    2.5178    1.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6312   -0.9431    0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -0.0863   -0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5221    0.8294    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8976   -0.8411   -0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8893    0.0478    1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570    3.1629   -0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 11  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 712👍, 0💬