Molecule FYI-1016616

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A

Molecule Summary:

ID: FYI-1016616
Names:
InChIKey: HDHTTWLQAIUNEA-UHFFFAOYSA-N
SMILES: O=C1OC2C(I)C3CC1C2C3

Received at FYIcenter.com on: 2026-01-29

Molecule ID: FYI-1016616 Edit

Molecule Structure InChIKey: HDHTTWLQAIUNEA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1OC2C(I)C3CC1C2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016616
FYIcenter.com

 11 13  0  0  0  0  0  0  0  0999 V2000
    3.7526    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3277    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6832    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    3.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    3.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2237    4.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2559    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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  5  1  0  0  0  0
  3  7  1  0  0  0  0
  7  6  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016616-3D
FYIcenter.com

 20 22  0     1  0  0  0  0  0999 V2000
   -3.2034   -1.2850    0.3587 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160   -1.4340   -0.3024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8933   -0.5979    0.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0252    0.5352   -1.1954 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1356    0.9737    0.6528 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1149    0.9003   -0.1881 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3398   -0.8587   -0.6850 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1587    1.4042   -0.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    1.3634    1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2021   -0.5726    0.5692 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7788   -0.4286    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3523    0.5641   -2.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8934    1.4412    1.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185    1.6469   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -1.4825   -1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0757    1.1355   -1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623    2.4731   -0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348    0.8964    1.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3890    2.4514    1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7727   -1.0292    1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2026-02-02, 484👍, 0💬