Molecule FYI-1016683

A

Molecule Summary:

ID: FYI-1016683
Names:
InChIKey: XAFPPDUBIWUMJI-QTSLKERKSA-N
SMILES: C[C@H]1C2OC(=O)[C@@H]1[C@H](C(=O)O)C[C@H]2I

Received at FYIcenter.com on: 2026-02-14

Molecule ID: FYI-1016683 Edit

Molecule Structure InChIKey: XAFPPDUBIWUMJI-QTSLKERKSA-N

Molecule Structure SMILES String: C[C@H]1C2OC(=O)[C@@H]1[C@H](C(=O)O)C[C@H]2I

Download SDF Download SVG Structure in 2D SDF:

FYI-1016683
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1578    4.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7578    4.8139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048    5.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850    2.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9208    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3982    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
  3  7  1  6  0  0  0
  2  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  2  0  0  0  0
  1 11  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 14  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016683-3D
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    0.4959    0.0695    0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    1.0780    0.8821 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1836    1.9502    2.0694 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2889    1.0262    3.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2869    0.1493    2.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7616   -0.6671    3.6506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    0.4289    1.5043 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0123    1.4254    1.5680 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0972    1.3594    2.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    2.1427    2.6241 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321    0.4490    3.6263 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4965    2.8912    1.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2110    3.0881    2.3240 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3437    5.0090    1.8725 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905   -0.4669   -0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    0.5846    0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3093   -0.6755    1.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037    1.6632   -0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    2.2935    2.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1026   -0.5051    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5801    1.2532    0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2947   -0.1950    3.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048    3.1322    0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2590    3.6148    1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    3.0977    3.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  6  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  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
  7 20  1  6  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  6  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  1  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 942👍, 0💬