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

Systemtic Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-[(3,4-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-2-(3,4-dichlorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H14Cl2O5S MolecularWeight: 461.31456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/O3

InChI

InChI=1S/C22H14Cl2O5S/c1-13-2-6-16(7-3-13)30(26,27)29-15-5-8-17-20(12-15)28-21(22(17)25)11-14-4-9-18(23)19(24)10-14/h2-12H,1H3/b21-11-