5-hexyl-3-phenyl-3H-2-benzofuran-1-one

Systemtic Name: 5-hexyl-3-phenyl-3H-2-benzofuran-1-one Openeye Name: 5-hexyl-3-phenyl-3H-isobenzofuran-1-one CAS Name: 5-hexyl-3-phenyl-3H-isobenzofuran-1-one IUPAC Name: 5-hexyl-3-phenyl-3H-2-benzofuran-1-one Traditional Name: 5-hexyl-3-phenyl-phthalide Formula: C20H22O2 MolecularWeight: 294.38748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)C(=O)OC2C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)C(=O)OC2C3=CC=CC=C3

InChI

InChI=1S/C20H22O2/c1-2-3-4-6-9-15-12-13-17-18(14-15)19(22-20(17)21)16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3