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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid (3-keto-2-veratrylidene-coumaran-6-yl) ester Formula: C23H18O7S MolecularWeight: 438.44982

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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=CC=C4)OC

Isomeric SMILES

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

InChI

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