[3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C20H12ClNO5S MolecularWeight: 413.83098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3)Cl

InChI

InChI=1S/C20H12ClNO5S/c21-14-1-4-16(5-2-14)28(24,25)27-15-3-6-17-18(12-15)26-19(20(17)23)11-13-7-9-22-10-8-13/h1-12H