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

Systemtic Name: [(2Z)-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2Z)-2-benzylidene-3-oxo-benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2Z)-3-oxo-2-(phenylmethylene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2Z)-2-benzal-3-keto-coumaran-6-yl] ester Formula: C21H13ClO5S MolecularWeight: 412.84292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=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/C21H13ClO5S/c22-15-6-9-17(10-7-15)28(24,25)27-16-8-11-18-19(13-16)26-20(21(18)23)12-14-4-2-1-3-5-14/h1-13H/b20-12-