(4-oxidanylidene-3-phenyl-chromen-7-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (4-oxidanylidene-3-phenyl-chromen-7-yl) 4-bromanylbenzenesulfonate Openeye Name: (4-oxo-3-phenyl-chromen-7-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (4-oxo-3-phenylchromen-7-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (4-keto-3-phenyl-chromen-7-yl) ester Formula: C21H13BrO5S MolecularWeight: 457.29392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrO5S/c22-15-6-9-17(10-7-15)28(24,25)27-16-8-11-18-20(12-16)26-13-19(21(18)23)14-4-2-1-3-5-14/h1-13H