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

Systemtic Name: [(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate Openeye Name: [(2Z)-2-[(2-fluorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(2Z)-2-(2-fluorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C21H12BrFO5S MolecularWeight: 475.284383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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)F

InChI

InChI=1S/C21H12BrFO5S/c22-14-5-8-16(9-6-14)29(25,26)28-15-7-10-17-19(12-15)27-20(21(17)24)11-13-3-1-2-4-18(13)23/h1-12H/b20-11-