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

Systemtic Name: [(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-[(2,3-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-2-(2,3-dimethoxybenzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H18O7S MolecularWeight: 438.44982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18O7S/c1-27-19-10-6-7-15(23(19)28-2)13-21-22(24)18-12-11-16(14-20(18)29-21)30-31(25,26)17-8-4-3-5-9-17/h3-14H,1-2H3/b21-13-