[5-(phenylcarbonyl)-2-propyl-phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [5-(phenylcarbonyl)-2-propyl-phenyl] 4-bromanylbenzenesulfonate Openeye Name: (5-benzoyl-2-propyl-phenyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (5-benzoyl-2-propylphenyl) ester IUPAC Name: (5-benzoyl-2-propylphenyl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (5-benzoyl-2-propyl-phenyl) ester Formula: C22H19BrO4S MolecularWeight: 459.35286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrO4S/c1-2-6-16-9-10-18(22(24)17-7-4-3-5-8-17)15-21(16)27-28(25,26)20-13-11-19(23)12-14-20/h3-5,7-15H,2,6H2,1H3