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

Systemtic Name: [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-(m-tolylmethylene)-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-3-keto-2-(3-methylbenzylidene)coumaran-6-yl] ester Formula: C22H16O5S MolecularWeight: 392.42444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H16O5S/c1-15-6-5-7-16(12-15)13-21-22(23)19-11-10-17(14-20(19)26-21)27-28(24,25)18-8-3-2-4-9-18/h2-14H,1H3/b21-13-