Molecule Editor

Molecule ID: FYI-1001830 Edit

Molecule Structure SMILES String: C1=CC=C(C=C1)I=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001830
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001830-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4126   -0.0378    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    1.2104    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083    1.2886    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710    0.1170   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412   -1.1316    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507   -1.2088    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046    0.2224   -0.2941 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.3254    0.3123   -0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4894   -0.0978    0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3740    2.1158    0.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914    2.2552   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271   -2.0390   -0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368   -2.1748    0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
$$$$