[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate

Systemtic Name: [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2Z)-2-[(3-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2Z)-2-(3-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)Br)O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC=C4)Br)/O3

InChI

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