Molecule ID: 25203829

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

Description: The molecule is the conjugate base of (3,5-diiodo-4-hydroxyphenyl)pyruvic acid; major species at pH 7.3. It is a conjugate base of a (3,5-diiodo-4-hydroxyphenyl)pyruvic 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/C9H6I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)/p-2

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 3.5