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

Systemtic Name: [(2Z)-2-[(2-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2Z)-2-[(2-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2Z)-2-(2-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=C4Br)O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CC=C4Br)/O3

InChI

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