3-[2-(3-iodanyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-(3-iodanyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: 3-[2-(4-hydroxy-3-iodo-phenyl)-2-oxo-ethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: 3-[2-(4-hydroxy-3-iodophenyl)-2-oxoethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[2-(4-hydroxy-3-iodophenyl)-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: 3-[2-(4-hydroxy-3-iodo-phenyl)-2-keto-ethyl]-6,7-dimethoxy-phthalide Formula: C18H15IO6 MolecularWeight: 454.21257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)C3=CC(=C(C=C3)O)I)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)CC(=O)C3=CC(=C(C=C3)O)I)OC

InChI

InChI=1S/C18H15IO6/c1-23-14-6-4-10-15(25-18(22)16(10)17(14)24-2)8-13(21)9-3-5-12(20)11(19)7-9/h3-7,15,20H,8H2,1-2H3