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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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