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

Systemtic Name: 3-[3-bromanyl-5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-4-oxidanyl-phenyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: 3-[3-bromo-5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-4-hydroxy-phenyl]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-[3-bromo-5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-4-hydroxyphenyl]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[3-bromo-5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxyphenyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-[3-bromo-4-hydroxy-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)phenyl]-6,7-dimethoxy-phthalide Formula: C26H21BrO9 MolecularWeight: 557.34354

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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=C(C(=C(C=C5)OC)OC)C(=O)O4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3=CC(=C(C(=C3)Br)O)C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC

InChI

InChI=1S/C26H21BrO9/c1-31-16-7-5-12-18(23(16)33-3)25(29)35-21(12)11-9-14(20(28)15(27)10-11)22-13-6-8-17(32-2)24(34-4)19(13)26(30)36-22/h5-10,21-22,28H,1-4H3