3-[(3-oxidanylidene-1-benzofuran-6-yl)oxy]butanoic acid

Systemtic Name: 3-[(3-oxidanylidene-1-benzofuran-6-yl)oxy]butanoic acid Openeye Name: 3-(3-oxobenzofuran-6-yl)oxybutanoic acid CAS Name: 3-[(3-oxo-6-benzofuranyl)oxy]butanoic acid IUPAC Name: 3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid Traditional Name: 3-(3-ketocoumaran-6-yl)oxybutyric acid Formula: C12H12O5 MolecularWeight: 236.22068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)OC1=CC2=C(C=C1)C(=O)CO2

Isomeric SMILES

CC(CC(=O)O)OC1=CC2=C(C=C1)C(=O)CO2

InChI

InChI=1S/C12H12O5/c1-7(4-12(14)15)17-8-2-3-9-10(13)6-16-11(9)5-8/h2-3,5,7H,4,6H2,1H3,(H,14,15)