[(2R)-3-deuteriobutan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-deuteriobutan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-2-deuterio-1-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-deuteriobutan-2-yl] ester IUPAC Name: [(2R)-3-deuteriobutan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-2-deuterio-1-methyl-propyl] ester Formula: C11H16O3S MolecularWeight: 229.314102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

[2H]C(C)[C@@H](C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C11H16O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3/t10-/m1/s1/i4D/t4?,10-