[2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-(1H-indol-3-ylmethylene)-3-oxo-benzofuran-6-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-(1H-indol-3-ylmethylidene)-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(1H-indol-3-ylmethylene)-3-keto-coumaran-6-yl] ester Formula: C23H14BrNO5S MolecularWeight: 496.32996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H14BrNO5S/c24-15-5-8-17(9-6-15)31(27,28)30-16-7-10-19-21(12-16)29-22(23(19)26)11-14-13-25-20-4-2-1-3-18(14)20/h1-13,25H