Molecule ID: 25245112

IUPAC Name: (2Z)-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-5-oxofuran-3-olate

Description: The molecule is an organic anion that is the conjugate base of aspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3. It is a conjugate base of an aspulvinone E.

SMILES: O=C1O/C(=C\c2ccc([O-])cc2)C(O)=C1c1ccc(O)cc1

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

InChI: InChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H/p-1/b14-9-

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 3.3