2-[(3-oxidanylidene-1-benzofuran-6-yl)oxy]butanoic acid

Systemtic Name: 2-[(3-oxidanylidene-1-benzofuran-6-yl)oxy]butanoic acid Openeye Name: 2-(3-oxobenzofuran-6-yl)oxybutanoic acid CAS Name: 2-[(3-oxo-6-benzofuranyl)oxy]butanoic acid IUPAC Name: 2-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid Traditional Name: 2-(3-ketocoumaran-6-yl)oxybutyric acid Formula: C12H12O5 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5/c1-2-10(12(14)15)17-7-3-4-8-9(13)6-16-11(8)5-7/h3-5,10H,2,6H2,1H3,(H,14,15)