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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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