5-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-[2-(dioxidanyl)ethanoyl]-4-oxidanyl-1-benzofuran-3-one

Systemtic Name: 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-[2-(dioxidanyl)ethanoyl]-4-oxidanyl-1-benzofuran-3-one Openeye Name: 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-(2-hydroperoxyacetyl)-4-hydroxy-benzofuran-3-one CAS Name: 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-(2-hydroperoxy-1-oxoethyl)-4-hydroxy-3-benzofuranone IUPAC Name: 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-(2-hydroperoxyacetyl)-4-hydroxy-1-benzofuran-3-one Traditional Name: 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-(2-hydroperoxyacetyl)-4-hydroxy-coumaran-3-one Formula: C20H24O6 MolecularWeight: 360.40096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O6/c1-12(2)5-4-6-13(3)7-8-14-15(16(21)11-26-24)9-18-19(20(14)23)17(22)10-25-18/h5,7,9,23-24H,4,6,8,10-11H2,1-3H3/b13-7+