[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic 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] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2Z)-3-keto-2-piperonylidene-coumaran-6-yl] ester Formula: C22H13ClO7S MolecularWeight: 456.85242

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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=C(C=C5)Cl

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=C(C=C5)Cl

InChI

InChI=1S/C22H13ClO7S/c23-14-2-5-16(6-3-14)31(25,26)30-15-4-7-17-19(11-15)29-21(22(17)24)10-13-1-8-18-20(9-13)28-12-27-18/h1-11H,12H2/b21-10-