3-[(1-butyl-1,6-dimethoxy-3-oxidanylidene-2-benzofuran-4-yl)oxy]-4,6-bis(oxidanyl)-2-pentyl-benzoic acid

Systemtic Name: 3-[(1-butyl-1,6-dimethoxy-3-oxidanylidene-2-benzofuran-4-yl)oxy]-4,6-bis(oxidanyl)-2-pentyl-benzoic acid Openeye Name: 3-(1-butyl-1,6-dimethoxy-3-oxo-isobenzofuran-4-yl)oxy-4,6-dihydroxy-2-pentyl-benzoic acid CAS Name: 3-[(1-butyl-1,6-dimethoxy-3-oxo-4-isobenzofuranyl)oxy]-4,6-dihydroxy-2-pentylbenzoic acid IUPAC Name: 3-[(1-butyl-1,6-dimethoxy-3-oxo-2-benzofuran-4-yl)oxy]-4,6-dihydroxy-2-pentylbenzoic acid Traditional Name: 2-amyl-3-(1-butyl-3-keto-1,6-dimethoxy-phthalan-4-yl)oxy-4,6-dihydroxy-benzoic acid Formula: C26H32O9 MolecularWeight: 488.52688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32O9/c1-5-7-9-10-16-21(24(29)30)18(27)14-19(28)23(16)34-20-13-15(32-3)12-17-22(20)25(31)35-26(17,33-4)11-8-6-2/h12-14,27-28H,5-11H2,1-4H3,(H,29,30)