[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate Openeye Name: [(2Z)-2-[(4-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(2Z)-3-keto-2-p-anisylidene-coumaran-6-yl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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