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

Systemtic Name: 3-butyl-5-methoxy-7-[3-methyl-4,6-bis(oxidanyl)-2-pentyl-phenoxy]-3H-2-benzofuran-1-one Openeye Name: 3-butyl-7-(4,6-dihydroxy-3-methyl-2-pentyl-phenoxy)-5-methoxy-3H-isobenzofuran-1-one CAS Name: 3-butyl-7-(4,6-dihydroxy-3-methyl-2-pentylphenoxy)-5-methoxy-3H-isobenzofuran-1-one IUPAC Name: 3-butyl-7-(4,6-dihydroxy-3-methyl-2-pentylphenoxy)-5-methoxy-3H-2-benzofuran-1-one Traditional Name: 7-(2-amyl-4,6-dihydroxy-3-methyl-phenoxy)-3-butyl-5-methoxy-phthalide Formula: C25H32O6 MolecularWeight: 428.51798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O6/c1-5-7-9-10-17-15(3)19(26)14-20(27)24(17)30-22-13-16(29-4)12-18-21(11-8-6-2)31-25(28)23(18)22/h12-14,21,26-27H,5-11H2,1-4H3