(4-oxidanylidene-2-phenyl-chromen-3-yl) 4-nitrobenzenesulfonate

Systemtic Name: (4-oxidanylidene-2-phenyl-chromen-3-yl) 4-nitrobenzenesulfonate Openeye Name: (4-oxo-2-phenyl-chromen-3-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (4-oxo-2-phenylchromen-3-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-keto-2-phenyl-chromen-3-yl) ester Formula: C21H13NO7S MolecularWeight: 423.39542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13NO7S/c23-19-17-8-4-5-9-18(17)28-20(14-6-2-1-3-7-14)21(19)29-30(26,27)16-12-10-15(11-13-16)22(24)25/h1-13H