Molecule ID: 5459883

IUPAC Name: 2-oxooctadecanoate

Description: The molecule is a 2-oxo monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of 2-oxooctadecanoic acid (stearic acid). The major species at pH 7.3. It derives from an octadecanoate. It is a conjugate base of a 2-oxooctadecanoic acid.

SMILES: CCCCCCCCCCCCCCCCC(=O)C(=O)[O-]

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 7.4