Molecule ID: 25200835

IUPAC Name: 3-(3,5-diiodo-4-oxidophenyl)-2-hydroxypropanoate

Description: The molecule is the conjugate base of 3-(4-hydroxy-3,5-diiodophenyl)lactic acid; major species at pH 7.3. It derives from a lactate. It is a conjugate base of a 3-(4-hydroxy-3,5-diiodophenyl)lactic acid.

SMILES: O=C([O-])C(O)Cc1cc(I)c([O-])c(I)c1

SELFIES: [O][=C][Branch1][C][O-1][C][Branch1][C][O][C][C][=C][C][Branch1][C][I][=C][Branch1][C][O-1][C][Branch1][C][I][=C][Ring1][=Branch2]

InChI: InChI=1S/C9H8I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,12-13H,3H2,(H,14,15)/p-2

Molecular Properties:
- Polar Surface Area: 83.4 Ų
- LogP: 3.4