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

Systemtic Name: [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-3-keto-2-m-anisylidene-coumaran-6-yl] ester Formula: C22H16O6S MolecularWeight: 408.42384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16O6S/c1-26-16-7-5-6-15(12-16)13-21-22(23)19-11-10-17(14-20(19)27-21)28-29(24,25)18-8-3-2-4-9-18/h2-14H,1H3/b21-13-