Molecule ID: 901725

IUPAC Name: 2,2,3,3-tetrahydroxynaphthalene-1,4-dione

Description: The molecule is a ketone hydrate that is naphthalene-1,2,3,4-tetrone in which water has been added to the keto groups at positions 2 and 3. It has been used as an antiviral agent in nasal ointment. It has a role as an antipsoriatic, an antibacterial agent and a topoisomerase inhibitor. It is a member of tetralins and a ketone hydrate. It derives from a naphthalene-1,2,3,4-tetrone.

SMILES: O=C1c2ccccc2C(=O)C(O)(O)C1(O)O

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

InChI: InChI=1S/C10H8O6/c11-7-5-3-1-2-4-6(5)8(12)10(15,16)9(7,13)14/h1-4,13-16H

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: -1.5