Molecule Editor

Molecule ID: FYI-1016605 Edit

Molecule Structure InChIKey: GYNNDLOAKKNNPR-ZFGFBIEISA-N

Molecule Structure SMILES String: C[C@@H]1C2CCC(I)[C@@H]1OC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016605
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6377    2.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    3.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4380    4.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    3.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    2.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4380    1.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4380    5.7496    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0861    1.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2943    2.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  2  1  1  0  0  0
  3  4  1  1  0  0  0
  4  5  1  6  0  0  0
  5  6  1  1  0  0  0
  6  1  1  6  0  0  0
  3  7  1  6  0  0  0
  5  8  1  1  0  0  0
  6  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016605-3D
FYIcenter.com

 22 23  0  0  1  0  0  0  0  0999 V2000
    1.4775    0.8137    0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    1.3746    0.2989 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8257    2.8932    0.1685 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1722    3.4682   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1328    2.4183   -0.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4371    1.2383   -1.6130 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5800   -0.6163   -1.1653 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.9764    1.0268   -1.1740 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1169    1.9828   -1.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980    3.0435   -1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1377    3.9766   -1.2192 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5901   -0.2538    1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621    0.9030    0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    1.3232    1.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6142    1.0018    0.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434    3.4050    1.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6762    3.9863    0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009    4.2366   -1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    2.0687   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8223    2.9076   -1.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4873    1.3838   -2.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    0.0243   -1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  1  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
$$$$