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

Systemtic Name: 4,5-dimethyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoic acid Openeye Name: 4,5-dimethyl-3-(p-tolylsulfonyloxymethyl)hexanoic acid CAS Name: 4,5-dimethyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoic acid IUPAC Name: 4,5-dimethyl-3-[(4-methylphenyl)sulfonyloxymethyl]hexanoic acid Traditional Name: 4,5-dimethyl-3-(tosyloxymethyl)hexanoic acid Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S/c1-11(2)13(4)14(9-16(17)18)10-21-22(19,20)15-7-5-12(3)6-8-15/h5-8,11,13-14H,9-10H2,1-4H3,(H,17,18)