5-[1-(1-benzofuran-2-yl)-3,3-dimethyl-cyclobutyl]-3-ethyl-3-oxidanyl-2-oxidanylidene-pentaneperoxoic acid

Systemtic Name: 5-[1-(1-benzofuran-2-yl)-3,3-dimethyl-cyclobutyl]-3-ethyl-3-oxidanyl-2-oxidanylidene-pentaneperoxoic acid Openeye Name: 5-[1-(benzofuran-2-yl)-3,3-dimethyl-cyclobutyl]-3-ethyl-3-hydroxy-2-oxo-pentaneperoxoic acid CAS Name: 5-[1-(2-benzofuranyl)-3,3-dimethylcyclobutyl]-3-ethyl-3-hydroxy-2-oxopentaneperoxoic acid IUPAC Name: 5-[1-(1-benzofuran-2-yl)-3,3-dimethylcyclobutyl]-3-ethyl-3-hydroxy-2-oxopentaneperoxoic acid Traditional Name: 5-[1-(benzofuran-2-yl)-3,3-dimethyl-cyclobutyl]-3-ethyl-3-hydroxy-2-keto-peroxyvaleric acid Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1(CC(C1)(C)C)C2=CC3=CC=CC=C3O2)(C(=O)C(=O)OO)O

Isomeric SMILES

CCC(CCC1(CC(C1)(C)C)C2=CC3=CC=CC=C3O2)(C(=O)C(=O)OO)O

InChI

InChI=1S/C21H26O6/c1-4-21(24,17(22)18(23)27-25)10-9-20(12-19(2,3)13-20)16-11-14-7-5-6-8-15(14)26-16/h5-8,11,24-25H,4,9-10,12-13H2,1-3H3