[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate

Systemtic Name: [(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2Z)-2-[(4-ethylphenyl)methylene]-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2Z)-2-(4-ethylbenzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H18O5S MolecularWeight: 406.45102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18O5S/c1-2-16-8-10-17(11-9-16)14-22-23(24)20-13-12-18(15-21(20)27-22)28-29(25,26)19-6-4-3-5-7-19/h3-15H,2H2,1H3/b22-14-