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

Systemtic Name: [(2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-[(2-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-2-(2-ethoxybenzylidene)-3-keto-coumaran-6-yl] ester Formula: C24H20O6S MolecularWeight: 436.477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H20O6S/c1-3-28-21-7-5-4-6-17(21)14-23-24(25)20-13-10-18(15-22(20)29-23)30-31(26,27)19-11-8-16(2)9-12-19/h4-15H,3H2,1-2H3/b23-14-