(4-methyl-2-oxidanylidene-3-phenyl-chromen-7-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-3-phenyl-chromen-7-yl) 4-bromanylbenzenesulfonate Openeye Name: (4-methyl-2-oxo-3-phenyl-chromen-7-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (4-methyl-2-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxo-3-phenylchromen-7-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2-keto-4-methyl-3-phenyl-chromen-7-yl) ester Formula: C22H15BrO5S MolecularWeight: 471.3205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H15BrO5S/c1-14-19-12-9-17(28-29(25,26)18-10-7-16(23)8-11-18)13-20(19)27-22(24)21(14)15-5-3-2-4-6-15/h2-13H,1H3