Molecule ID: 446966

IUPAC Name: 3-(8-methyl-15,16-dioxatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-yl)propanoic acid

Description: The molecule is a peroxide-bridged anthracene substituted at the bridgeheads with methyl and carboxyethyl groups. It has a role as a hapten. It is a member of anthracenes, an organic peroxide and a monocarboxylic acid.

SMILES: CC12OOC(CCC(=O)O)(c3ccccc31)c1ccccc12

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

InChI: InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 2.5