3-[1-bromanyl-2-(3,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[1-bromanyl-2-(3,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[1-bromo-2-(3,5-dimethoxyphenyl)-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[1-bromo-2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[1-bromo-2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[1-bromo-2-(3,5-dimethoxyphenyl)-2-keto-ethyl]phthalide Formula: C18H15BrO5 MolecularWeight: 391.2127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)C(C2C3=CC=CC=C3C(=O)O2)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)C(C2C3=CC=CC=C3C(=O)O2)Br)OC

InChI

InChI=1S/C18H15BrO5/c1-22-11-7-10(8-12(9-11)23-2)16(20)15(19)17-13-5-3-4-6-14(13)18(21)24-17/h3-9,15,17H,1-2H3