5-[(E)-but-2-enyl]-6-[2-(dioxidanyl)ethanoyl]-4-oxidanyl-1-benzofuran-3-one

Systemtic Name: 5-[(E)-but-2-enyl]-6-[2-(dioxidanyl)ethanoyl]-4-oxidanyl-1-benzofuran-3-one Openeye Name: 5-[(E)-but-2-enyl]-6-(2-hydroperoxyacetyl)-4-hydroxy-benzofuran-3-one CAS Name: 5-[(E)-but-2-enyl]-6-(2-hydroperoxy-1-oxoethyl)-4-hydroxy-3-benzofuranone IUPAC Name: 5-[(E)-but-2-enyl]-6-(2-hydroperoxyacetyl)-4-hydroxy-1-benzofuran-3-one Traditional Name: 5-[(E)-but-2-enyl]-6-(2-hydroperoxyacetyl)-4-hydroxy-coumaran-3-one Formula: C14H14O6 MolecularWeight: 278.25736

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1=C(C2=C(C=C1C(=O)COO)OCC2=O)O

Isomeric SMILES

C/C=C/CC1=C(C2=C(C=C1C(=O)COO)OCC2=O)O

InChI

InChI=1S/C14H14O6/c1-2-3-4-8-9(10(15)7-20-18)5-12-13(14(8)17)11(16)6-19-12/h2-3,5,17-18H,4,6-7H2,1H3/b3-2+