7-[2,4-bis(oxidanyl)-6-pentyl-phenoxy]-3-butyl-3,5-dimethoxy-2-benzofuran-1-one

Systemtic Name: 7-[2,4-bis(oxidanyl)-6-pentyl-phenoxy]-3-butyl-3,5-dimethoxy-2-benzofuran-1-one Openeye Name: 3-butyl-7-(2,4-dihydroxy-6-pentyl-phenoxy)-3,5-dimethoxy-isobenzofuran-1-one CAS Name: 3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dimethoxy-1-isobenzofuranone IUPAC Name: 3-butyl-7-(2,4-dihydroxy-6-pentylphenoxy)-3,5-dimethoxy-2-benzofuran-1-one Traditional Name: 7-(2-amyl-4,6-dihydroxy-phenoxy)-3-butyl-3,5-dimethoxy-phthalide Formula: C25H32O7 MolecularWeight: 444.51738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC(=C1OC2=C3C(=CC(=C2)OC)C(OC3=O)(CCCC)OC)O)O

Isomeric SMILES

CCCCCC1=CC(=CC(=C1OC2=C3C(=CC(=C2)OC)C(OC3=O)(CCCC)OC)O)O

InChI

InChI=1S/C25H32O7/c1-5-7-9-10-16-12-17(26)13-20(27)23(16)31-21-15-18(29-3)14-19-22(21)24(28)32-25(19,30-4)11-8-6-2/h12-15,26-27H,5-11H2,1-4H3