Molecule ID: 70679234

IUPAC Name: 2-(2-hydroxyethyl)-3,4-dioxonaphthalen-1-olate

Description: The molecule is an organic anion that is the monoanion obtained by the deprotonation of the 2-hydroxy group of 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione. It is a conjugate base of a 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione.

SMILES: O=C1C(=O)c2ccccc2C([O-])=C1CCO

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

InChI: InChI=1S/C12H10O4/c13-6-5-9-10(14)7-3-1-2-4-8(7)11(15)12(9)16/h1-4,13-14H,5-6H2/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.1