[2-[(4-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[(4-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate Openeye Name: [2-[(4-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[(4-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-(4-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C25H19BrO7 MolecularWeight: 511.31816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)Br)O3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)Br)O3

InChI

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