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

Systemtic Name: [(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate Openeye Name: [(2Z)-2-[(2-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(2Z)-3-keto-2-o-anisylidene-coumaran-6-yl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=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/C22H15BrO6S/c1-27-19-5-3-2-4-14(19)12-21-22(24)18-11-8-16(13-20(18)28-21)29-30(25,26)17-9-6-15(23)7-10-17/h2-13H,1H3/b21-12-