Molecule FYI-1016604

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Molecule Summary:

ID: FYI-1016604
Names:
InChIKey: GYNNDLOAKKNNPR-RKEPMNIXSA-N
SMILES: C[C@@H]1[C@H]2CC[C@@H](I)C1OC2=O

Received at FYIcenter.com on: 2026-01-28

Molecule ID: FYI-1016604 Edit

Molecule Structure InChIKey: GYNNDLOAKKNNPR-RKEPMNIXSA-N

Molecule Structure SMILES String: C[C@@H]1[C@H]2CC[C@@H](I)C1OC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016604
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6762    2.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    3.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638    4.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2513    3.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2513    2.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638    1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638    5.8105    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2974    2.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899    0.0000    0.0000 O   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  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-1016604-3D
FYIcenter.com

 22 23  0  0  1  0  0  0  0  0999 V2000
    2.7671    1.0393    0.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889   -0.2497    1.0995 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1417   -0.2049    2.5303 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9060   -1.5075    3.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -2.6646    2.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -2.7172    1.0554 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3472   -3.3801   -0.3619 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.4902   -1.3532    0.5603 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7872   -1.0464    1.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058   -0.2384    2.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    0.2866    2.8626 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177    1.7085    0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7989    0.8143   -0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6801    1.5855    0.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285   -0.5102    1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8561    0.6920    3.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -1.3236    4.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -1.8491    3.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744   -2.5551    2.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431   -3.6203    2.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602   -3.4796    0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -1.3314   -0.5281 H   0  0  0  0  0  0  0  0  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  1  1  0  0  0  0
  2 15  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  1  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  6  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
$$$$

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