[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2Z)-2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2Z)-3-keto-2-m-anisylidene-coumaran-6-yl] ester Formula: C22H15ClO6S MolecularWeight: 442.8689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClO6S/c1-27-16-4-2-3-14(11-16)12-21-22(24)19-10-7-17(13-20(19)28-21)29-30(25,26)18-8-5-15(23)6-9-18/h2-13H,1H3/b21-12-