Molecule ID: 41322

IUPAC Name: 4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol

Description: The molecule is an epoxide. It has a role as an intercalator. It derives from a hydride of a benzo[a]pyrene.

SMILES: OC1c2cc3ccc4cccc5ccc(c2C2OC2C1O)c3c45

SELFIES: [O][C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=C][=C][Ring1][=C][C][O][C][Ring1][Ring1][C][Ring2][Ring1][Ring1][O][C][Ring2][Ring1][C][=C][Ring1][S][Ring1][N]

InChI: InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H

Molecular Properties:
- Polar Surface Area: 53.0 Ų
- LogP: 2.9