[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3,4-dimethoxybenzoate

Systemtic Name: [2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Openeye Name: [2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C25H19BrO7 MolecularWeight: 511.31816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H19BrO7/c1-29-19-9-5-16(26)10-15(19)12-23-24(27)18-7-6-17(13-21(18)33-23)32-25(28)14-4-8-20(30-2)22(11-14)31-3/h4-13H,1-3H3