(4-bromanyl-2-methyl-pentyl) 4-methylbenzenesulfonate

Systemtic Name: (4-bromanyl-2-methyl-pentyl) 4-methylbenzenesulfonate Openeye Name: (4-bromo-2-methyl-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-bromo-2-methylpentyl) ester IUPAC Name: (4-bromo-2-methylpentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-bromo-2-methyl-pentyl) ester Formula: C13H19BrO3S MolecularWeight: 335.25716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CC(C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CC(C)Br

InChI

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