Molecule ID: 146170788

IUPAC Name: 4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-olate

Description: The molecule is an organic anion that is the conjugate base of atromentin, obtained from the deprotonation of one of the hydroxy groups of the 1,4-benzoquinone moiety. It is the major species at pH 7.3. It is a conjugate base of an atromentin.

SMILES: O=C1C(O)=C(c2ccc(O)cc2)C(=O)C(O)=C1c1ccc([O-])cc1

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

InChI: InChI=1S/C18H12O6/c19-11-5-1-9(2-6-11)13-15(21)17(23)14(18(24)16(13)22)10-3-7-12(20)8-4-10/h1-8,19-21,24H/p-1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 2.9