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

Systemtic Name: [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-[(3-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-2-(3-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H15BrO5S MolecularWeight: 471.3205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)Br)O3

Isomeric SMILES

CC1=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/C22H15BrO5S/c1-14-5-8-18(9-6-14)29(25,26)28-17-7-10-19-20(13-17)27-21(22(19)24)12-15-3-2-4-16(23)11-15/h2-13H,1H3/b21-12-