Molecule ID: 146672234

IUPAC Name: 2,8-dihydroxy-6-methyl-9,10-dioxoanthracen-1-olate

Description: The molecule is a phenolate anion that is the conjugate base of nataloe-emodin, obtained by deprotonation of the phenolic hydroxy group at position 2. Major species at pH 7.3. It is a conjugate base of a nataloe-emodin.

SMILES: Cc1cc(O)c2c(c1)C(=O)c1ccc([O-])c(O)c1C2=O

SELFIES: [C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O-1][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=C][=O]

InChI: InChI=1S/C15H10O5/c1-6-4-8-11(10(17)5-6)15(20)12-7(13(8)18)2-3-9(16)14(12)19/h2-5,16-17,19H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: 3.4