Molecule FYI-1016590

Home > Molecule

A

Molecule Summary:

ID: FYI-1016590
Names:
InChIKey: BUUFPCGNCPIJMQ-WGPMNRCPSA-N
SMILES: C[C@@H]2CC1C(=O)OC([C@H]1C)[C@H]2I

Received at FYIcenter.com on: 2026-01-26

Molecule ID: FYI-1016590 Edit

Molecule Structure InChIKey: BUUFPCGNCPIJMQ-WGPMNRCPSA-N

Molecule Structure SMILES String: C[C@@H]2CC1C(=O)OC([C@H]1C)[C@H]2I

Download SDF Download SVG Structure in 2D SDF:

FYI-1016590
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.7451    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451    3.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    3.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    1.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1606    4.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919    4.9484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9952    5.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    5.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7129    0.0000 I   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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  1  0  0  0
  6 11  1  1  0  0  0
  5 12  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016590-3D
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    0.7457    0.0631   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1717    0.2276   -0.0093 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8511    1.4627   -0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3470    1.5612   -0.2914 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1370    0.8769   -1.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5315    1.3830   -2.4199 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2792   -0.4455   -1.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700   -0.6788    0.1828 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6864    0.6672    0.8969 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0670    0.9342    1.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0871   -1.0184   -0.1791 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4218   -2.6643    1.0817 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840    0.9933   -0.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -0.7164    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279   -0.1826   -1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    0.4373    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3369    2.3684   -0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    1.4239   -1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6847    2.5943   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0901   -1.4784    0.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9794    0.7749    1.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8858    0.6751    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    0.3437    2.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1677    1.9900    1.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352   -1.3637   -1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  1  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  1  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  6  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 1494👍, 0💬