[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate

Systemtic Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-3-keto-2-piperonylidene-coumaran-6-yl] ester Formula: C22H14O7S MolecularWeight: 422.40736

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H14O7S/c23-22-17-8-7-15(29-30(24,25)16-4-2-1-3-5-16)12-19(17)28-21(22)11-14-6-9-18-20(10-14)27-13-26-18/h1-12H,13H2/b21-11-