[(3R)-1-(phenylsulfonyl)octan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-1-(phenylsulfonyl)octan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[2-(benzenesulfonyl)ethyl]hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-1-(benzenesulfonyl)octan-3-yl] ester IUPAC Name: [(3R)-1-(benzenesulfonyl)octan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-(2-besylethyl)hexyl] ester Formula: C21H28O5S2 MolecularWeight: 424.57402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCS(=O)(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC[C@H](CCS(=O)(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O5S2/c1-3-4-6-9-19(16-17-27(22,23)20-10-7-5-8-11-20)26-28(24,25)21-14-12-18(2)13-15-21/h5,7-8,10-15,19H,3-4,6,9,16-17H2,1-2H3/t19-/m1/s1