2-(5,6-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoic acid

Systemtic Name: 2-(5,6-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoic acid Openeye Name: 2-(5,6-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)acetic acid CAS Name: 2-(5,6-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)acetic acid IUPAC Name: 2-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid Traditional Name: 2-(3-keto-5,6-dimethoxy-phthalan-1-yl)acetic acid Formula: C12H12O6 MolecularWeight: 252.22008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(OC2=O)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(OC2=O)CC(=O)O)OC

InChI

InChI=1S/C12H12O6/c1-16-9-3-6-7(4-10(9)17-2)12(15)18-8(6)5-11(13)14/h3-4,8H,5H2,1-2H3,(H,13,14)