[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate Openeye Name: [(2Z)-2-(o-tolylmethylene)-3-oxo-benzofuran-6-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(2Z)-3-keto-2-(2-methylbenzylidene)coumaran-6-yl] ester Formula: C22H15BrO5S MolecularWeight: 471.3205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrO5S/c1-14-4-2-3-5-15(14)12-21-22(24)19-11-8-17(13-20(19)27-21)28-29(25,26)18-9-6-16(23)7-10-18/h2-13H,1H3/b21-12-