[(2R)-2-methyl-2-oxidanyl-3-oxidanylidene-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-methyl-2-oxidanyl-3-oxidanylidene-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-hydroxy-2-methyl-3-oxo-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-2-methyl-3-oxobutyl] ester IUPAC Name: [(2R)-2-hydroxy-2-methyl-3-oxobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-3-keto-2-methyl-butyl] ester Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O5S/c1-9-4-6-11(7-5-9)18(15,16)17-8-12(3,14)10(2)13/h4-7,14H,8H2,1-3H3/t12-/m1/s1