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

Systemtic Name: [(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate Openeye Name: [(2Z)-2-[(4-chlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(2Z)-2-(4-chlorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C21H12BrClO5S MolecularWeight: 491.73898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H12BrClO5S/c22-14-3-8-17(9-4-14)29(25,26)28-16-7-10-18-19(12-16)27-20(21(18)24)11-13-1-5-15(23)6-2-13/h1-12H/b20-11-