3-[3-bromanyl-4-oxidanyl-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)phenyl]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 3-[3-bromanyl-4-oxidanyl-5-(3-oxidanylidene-1H-2-benzofuran-1-yl)phenyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: 3-[3-bromo-4-hydroxy-5-(3-oxo-1H-isobenzofuran-1-yl)phenyl]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-[3-bromo-4-hydroxy-5-(3-oxo-1H-isobenzofuran-1-yl)phenyl]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[3-bromo-4-hydroxy-5-(3-oxo-1H-2-benzofuran-1-yl)phenyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-(3-bromo-4-hydroxy-5-phthalidyl-phenyl)-6,7-dimethoxy-phthalide Formula: C24H17BrO7 MolecularWeight: 497.29158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3=CC(=C(C(=C3)Br)O)C4C5=CC=CC=C5C(=O)O4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3=CC(=C(C(=C3)Br)O)C4C5=CC=CC=C5C(=O)O4)OC

InChI

InChI=1S/C24H17BrO7/c1-29-17-8-7-14-18(22(17)30-2)24(28)31-20(14)11-9-15(19(26)16(25)10-11)21-12-5-3-4-6-13(12)23(27)32-21/h3-10,20-21,26H,1-2H3