(phenylmethyl) 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoate

Systemtic Name: (phenylmethyl) 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoate Openeye Name: benzyl 5-methyl-3-(p-tolylsulfonyloxymethyl)hexanoate CAS Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoate Traditional Name: 5-methyl-3-(tosyloxymethyl)hexanoic acid benzyl ester Formula: C22H28O5S MolecularWeight: 404.51972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(C)C)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(C)C)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28O5S/c1-17(2)13-20(14-22(23)26-15-19-7-5-4-6-8-19)16-27-28(24,25)21-11-9-18(3)10-12-21/h4-12,17,20H,13-16H2,1-3H3