5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoic acid

Systemtic Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoic acid Openeye Name: 5-methyl-3-(p-tolylsulfonyloxymethyl)hexanoic acid CAS Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoic acid IUPAC Name: 5-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoic acid Traditional Name: 5-methyl-3-(tosyloxymethyl)hexanoic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-11(2)8-13(9-15(16)17)10-20-21(18,19)14-6-4-12(3)5-7-14/h4-7,11,13H,8-10H2,1-3H3,(H,16,17)