[(2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-fluoranylbenzenesulfonate Openeye Name: [(2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-3-oxo-benzofuran-6-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [(2Z)-2-(2-chloro-6-fluoro-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C21H11ClF2O5S MolecularWeight: 448.823846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11ClF2O5S/c22-17-2-1-3-18(24)16(17)11-20-21(25)15-9-6-13(10-19(15)28-20)29-30(26,27)14-7-4-12(23)5-8-14/h1-11H/b20-11-