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

Systemtic Name: [(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-3-keto-2-veratrylidene-coumaran-6-yl] ester Formula: C24H20O7S MolecularWeight: 452.4764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)OC)OC)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4)OC)OC)/O3

InChI

InChI=1S/C24H20O7S/c1-15-4-8-18(9-5-15)32(26,27)31-17-7-10-19-21(14-17)30-23(24(19)25)13-16-6-11-20(28-2)22(12-16)29-3/h4-14H,1-3H3/b23-13-