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

Systemtic Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2Z)-2-[(3,4-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2Z)-2-(3,4-dichlorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H14Cl2O6S MolecularWeight: 477.31396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)Cl)Cl)O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/O3

InChI

InChI=1S/C22H14Cl2O6S/c1-28-14-3-6-16(7-4-14)31(26,27)30-15-5-8-17-20(12-15)29-21(22(17)25)11-13-2-9-18(23)19(24)10-13/h2-12H,1H3/b21-11-