[(2Z)-2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2Z)-2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-(2-furylmethylene)-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2Z)-2-(2-furanylmethylidene)-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-2-(2-furfurylidene)-3-keto-coumaran-6-yl] ester Formula: C20H14O6S MolecularWeight: 382.38656

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=CO4)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CO4)/O3

InChI

InChI=1S/C20H14O6S/c1-13-4-7-16(8-5-13)27(22,23)26-15-6-9-17-18(12-15)25-19(20(17)21)11-14-3-2-10-24-14/h2-12H,1H3/b19-11-