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

Systemtic Name: [(2Z)-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-benzylidene-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-3-oxo-2-(phenylmethylene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-2-benzal-3-keto-coumaran-6-yl] ester Formula: C21H14O5S MolecularWeight: 378.39786

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H14O5S/c22-21-18-12-11-16(26-27(23,24)17-9-5-2-6-10-17)14-19(18)25-20(21)13-15-7-3-1-4-8-15/h1-14H/b20-13-