(5-bromanyl-2-methyl-hexan-3-yl) benzenesulfonate

Systemtic Name: (5-bromanyl-2-methyl-hexan-3-yl) benzenesulfonate Openeye Name: (3-bromo-1-isopropyl-butyl) benzenesulfonate CAS Name: benzenesulfonic acid (5-bromo-2-methylhexan-3-yl) ester IUPAC Name: (5-bromo-2-methylhexan-3-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-bromo-1-isopropyl-butyl) ester Formula: C13H19BrO3S MolecularWeight: 335.25716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrO3S/c1-10(2)13(9-11(3)14)17-18(15,16)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3