5-[2-(dioxidanyl)ethanoyl]-2-methyl-1-benzofuran-3-carboxylic acid

Systemtic Name: 5-[2-(dioxidanyl)ethanoyl]-2-methyl-1-benzofuran-3-carboxylic acid Openeye Name: 5-(2-hydroperoxyacetyl)-2-methyl-benzofuran-3-carboxylic acid CAS Name: 5-(2-hydroperoxy-1-oxoethyl)-2-methyl-3-benzofurancarboxylic acid IUPAC Name: 5-(2-hydroperoxyacetyl)-2-methyl-1-benzofuran-3-carboxylic acid Traditional Name: 5-(2-hydroperoxyacetyl)-2-methyl-benzofuran-3-carboxylic acid Formula: C12H10O6 MolecularWeight: 250.2042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)C(=O)COO)C(=O)O

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)C(=O)COO)C(=O)O

InChI

InChI=1S/C12H10O6/c1-6-11(12(14)15)8-4-7(9(13)5-17-16)2-3-10(8)18-6/h2-4,16H,5H2,1H3,(H,14,15)