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

Systemtic Name: (4-oxidanylidene-2-phenyl-chromen-3-yl) 4-bromanylbenzenesulfonate Openeye Name: (4-oxo-2-phenyl-chromen-3-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (4-oxo-2-phenylchromen-3-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (4-keto-2-phenyl-chromen-3-yl) ester Formula: C21H13BrO5S MolecularWeight: 457.29392

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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)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)Br

InChI

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