[(2R)-2,3-dimethyl-3-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2,3-dimethyl-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-3-hydroxy-2,3-dimethyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-hydroxy-2,3-dimethylbutyl] ester IUPAC Name: [(2R)-3-hydroxy-2,3-dimethylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-3-hydroxy-2,3-dimethyl-butyl] ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)C(C)(C)O

InChI

InChI=1S/C13H20O4S/c1-10-5-7-12(8-6-10)18(15,16)17-9-11(2)13(3,4)14/h5-8,11,14H,9H2,1-4H3/t11-/m1/s1