2-ethanoyl-6-oxidanyl-1-benzofuran-3-one; (2-ethanoyl-3-oxidanylidene-1-benzofuran-6-yl) ethanoate

Systemtic Name: 2-ethanoyl-6-oxidanyl-1-benzofuran-3-one; (2-ethanoyl-3-oxidanylidene-1-benzofuran-6-yl) ethanoate Openeye Name: 2-acetyl-6-hydroxy-benzofuran-3-one; (2-acetyl-3-oxo-benzofuran-6-yl) acetate CAS Name: acetic acid (2-acetyl-3-oxo-6-benzofuranyl) ester; 2-acetyl-6-hydroxy-3-benzofuranone IUPAC Name: 2-acetyl-6-hydroxy-1-benzofuran-3-one; (2-acetyl-3-oxo-1-benzofuran-6-yl) acetate Traditional Name: acetic acid (2-acetyl-3-keto-coumaran-6-yl) ester; 2-acetyl-6-hydroxy-coumaran-3-one Formula: C22H18O9 MolecularWeight: 426.37292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)C2=C(O1)C=C(C=C2)O.CC(=O)C1C(=O)C2=C(O1)C=C(C=C2)OC(=O)C

Isomeric SMILES

CC(=O)C1C(=O)C2=C(O1)C=C(C=C2)O.CC(=O)C1C(=O)C2=C(O1)C=C(C=C2)OC(=O)C

InChI

InChI=1S/C12H10O5.C10H8O4/c1-6(13)12-11(15)9-4-3-8(16-7(2)14)5-10(9)17-12;1-5(11)10-9(13)7-3-2-6(12)4-8(7)14-10/h3-5,12H,1-2H3;2-4,10,12H,1H3