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

Systemtic Name: [(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2Z)-2-[(3-chlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2Z)-2-(3-chlorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C21H12Cl2O5S MolecularWeight: 447.28798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12Cl2O5S/c22-14-4-7-17(8-5-14)29(25,26)28-16-6-9-18-19(12-16)27-20(21(18)24)11-13-2-1-3-15(23)10-13/h1-12H/b20-11-