[(2S)-hexan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-hexan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-methylpentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-hexan-2-yl] ester IUPAC Name: [(2S)-hexan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-methylpentyl] ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-4-5-6-12(3)16-17(14,15)13-9-7-11(2)8-10-13/h7-10,12H,4-6H2,1-3H3/t12-/m0/s1