[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2Z)-2-[(2,5-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2Z)-2-(2,5-dimethoxybenzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H17ClO7S MolecularWeight: 472.89488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClO7S/c1-28-16-6-10-20(29-2)14(11-16)12-22-23(25)19-9-5-17(13-21(19)30-22)31-32(26,27)18-7-3-15(24)4-8-18/h3-13H,1-2H3/b22-12-