Molecule ID: 11748521

IUPAC Name: (3E)-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one

Description: The molecule is an indenofuran that is (3E)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one which is substituted at position 3 by a ({[(4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene) group. It is an indenofuran and a synthetic strigolactone.

SMILES: CC1=CC(O/C=C2/C(=O)OC3c4ccccc4CC23)OC1=O

SELFIES: [C][C][=C][C][Branch2][Ring1][Branch2][O][/C][=C][/C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][Ring1][=Branch2][O][C][Ring2][Ring1][Ring2][=O]

InChI: InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 2.2