[(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate

Systemtic Name: [(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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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)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H15BrO6S/c1-27-19-10-7-15(23)11-14(19)12-21-22(24)18-9-8-16(13-20(18)28-21)29-30(25,26)17-5-3-2-4-6-17/h2-13H,1H3/b21-12-