(1-hexyl-3-oxidanylidene-2-benzofuran-1-yl) ethanoate

Systemtic Name: (1-hexyl-3-oxidanylidene-2-benzofuran-1-yl) ethanoate Openeye Name: (1-hexyl-3-oxo-isobenzofuran-1-yl) acetate CAS Name: acetic acid (1-hexyl-3-oxo-1-isobenzofuranyl) ester IUPAC Name: (1-hexyl-3-oxo-2-benzofuran-1-yl) acetate Traditional Name: acetic acid (1-hexyl-3-keto-phthalan-1-yl) ester Formula: C16H20O4 MolecularWeight: 276.3276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=CC=CC=C2C(=O)O1)OC(=O)C

Isomeric SMILES

CCCCCCC1(C2=CC=CC=C2C(=O)O1)OC(=O)C

InChI

InChI=1S/C16H20O4/c1-3-4-5-8-11-16(19-12(2)17)14-10-7-6-9-13(14)15(18)20-16/h6-7,9-10H,3-5,8,11H2,1-2H3