3-[2-[5-(bromomethyloxy)-2-methoxy-phenyl]-2-oxidanylidene-ethyl]-4-methoxy-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[5-(bromomethyloxy)-2-methoxy-phenyl]-2-oxidanylidene-ethyl]-4-methoxy-3H-2-benzofuran-1-one Openeye Name: 3-[2-[5-(bromomethoxy)-2-methoxy-phenyl]-2-oxo-ethyl]-4-methoxy-3H-isobenzofuran-1-one CAS Name: 3-[2-[5-(bromomethoxy)-2-methoxyphenyl]-2-oxoethyl]-4-methoxy-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[5-(bromomethoxy)-2-methoxyphenyl]-2-oxoethyl]-4-methoxy-3H-2-benzofuran-1-one Traditional Name: 3-[2-[5-(bromomethoxy)-2-methoxy-phenyl]-2-keto-ethyl]-4-methoxy-phthalide Formula: C19H17BrO6 MolecularWeight: 421.23868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCBr)C(=O)CC2C3=C(C=CC=C3OC)C(=O)O2

Isomeric SMILES

COC1=C(C=C(C=C1)OCBr)C(=O)CC2C3=C(C=CC=C3OC)C(=O)O2

InChI

InChI=1S/C19H17BrO6/c1-23-15-7-6-11(25-10-20)8-13(15)14(21)9-17-18-12(19(22)26-17)4-3-5-16(18)24-2/h3-8,17H,9-10H2,1-2H3