[(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate

Systemtic Name: [(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C23H15ClO7S MolecularWeight: 470.879

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)Cl)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)Cl)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)OCO1

InChI

InChI=1S/C23H15ClO7S/c24-16-8-14(23-15(9-16)12-28-13-29-23)10-21-22(25)19-7-6-17(11-20(19)30-21)31-32(26,27)18-4-2-1-3-5-18/h1-11H,12-13H2/b21-10-