(5-bromanyl-2,2-dimethyl-hexan-3-yl) benzenesulfonate

Systemtic Name: (5-bromanyl-2,2-dimethyl-hexan-3-yl) benzenesulfonate Openeye Name: (3-bromo-1-tert-butyl-butyl) benzenesulfonate CAS Name: benzenesulfonic acid (5-bromo-2,2-dimethylhexan-3-yl) ester IUPAC Name: (5-bromo-2,2-dimethylhexan-3-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-bromo-1-tert-butyl-butyl) ester Formula: C14H21BrO3S MolecularWeight: 349.28374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C)(C)C)OS(=O)(=O)C1=CC=CC=C1)Br

Isomeric SMILES

CC(CC(C(C)(C)C)OS(=O)(=O)C1=CC=CC=C1)Br

InChI

InChI=1S/C14H21BrO3S/c1-11(15)10-13(14(2,3)4)18-19(16,17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3