Molecule FYI-1001194

Home > Molecule

A

Molecule Summary:

ID: FYI-1001194
SMILES: Oc1ccccc1O

Received at FYIcenter.com on: 2022-03-02

Molecule ID: FYI-1001194 Edit

Molecule Structure SMILES String: Oc1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001194
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.2690    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001194-3D
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.6790   -1.3822   -0.0047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4924   -0.7036   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   -1.3957   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191   -0.6841   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070    0.7121    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6936    1.4035    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5046    0.6914    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021    1.3498    0.0085 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978   -2.3337    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7437   -2.4806   -0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -1.2177   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450    1.2619    0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013    2.4886    0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368    2.3046   -0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 1109👍, 0💬