Molecule ID: 17765245

IUPAC Name: 1,4-dioxonaphthalene-2-carboxylate

Description: The molecule is a dioxo monocarboxylic acid anion that is the conjugate base of 1,4-naphthoquinone-2-carboxylic acid, obtained by the deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 1,4-naphthoquinone-2-carboxylic acid.

SMILES: O=C([O-])C1=CC(=O)c2ccccc2C1=O

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

InChI: InChI=1S/C11H6O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5H,(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 74.3 Ų
- LogP: 2.2