[(2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2Z)-2-[(2-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2Z)-2-(2-ethoxybenzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H17ClO6S MolecularWeight: 456.89548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClO6S/c1-2-28-20-6-4-3-5-15(20)13-22-23(25)19-12-9-17(14-21(19)29-22)30-31(26,27)18-10-7-16(24)8-11-18/h3-14H,2H2,1H3/b22-13-