[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-fluoranylbenzenesulfonate Openeye Name: [(2Z)-2-[(3,4-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [(2Z)-2-(3,4-dichlorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C21H11Cl2FO5S MolecularWeight: 465.278443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)Cl)Cl)O3

Isomeric SMILES

C1=CC(=CC=C1F)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/O3

InChI

InChI=1S/C21H11Cl2FO5S/c22-17-8-1-12(9-18(17)23)10-20-21(25)16-7-4-14(11-19(16)28-20)29-30(26,27)15-5-2-13(24)3-6-15/h1-11H/b20-10-