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

Systemtic Name: [(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2Z)-2-[(2,5-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2Z)-2-(2,5-dimethoxybenzylidene)-3-keto-coumaran-6-yl] ester Formula: C24H20O8S MolecularWeight: 468.4758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC(=C4)OC)OC)O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C=CC(=C4)OC)OC)/O3

InChI

InChI=1S/C24H20O8S/c1-28-16-4-8-19(9-5-16)33(26,27)32-18-6-10-20-22(14-18)31-23(24(20)25)13-15-12-17(29-2)7-11-21(15)30-3/h4-14H,1-3H3/b23-13-