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

Systemtic Name: [(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-[(2,5-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-2-(2,5-dimethoxybenzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H18O7S MolecularWeight: 438.44982

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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=CC=C4

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=CC=C4

InChI

InChI=1S/C23H18O7S/c1-27-16-9-11-20(28-2)15(12-16)13-22-23(24)19-10-8-17(14-21(19)29-22)30-31(25,26)18-6-4-3-5-7-18/h3-14H,1-2H3/b22-13-