[(2S)-2-ethyl-2-oxidanyl-hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-ethyl-2-oxidanyl-hexyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-ethyl-2-hydroxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-ethyl-2-hydroxyhexyl] ester IUPAC Name: [(2S)-2-ethyl-2-hydroxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-ethyl-2-hydroxy-hexyl] ester Formula: C15H24O4S MolecularWeight: 300.41366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@@](CC)(COS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C15H24O4S/c1-4-6-11-15(16,5-2)12-19-20(17,18)14-9-7-13(3)8-10-14/h7-10,16H,4-6,11-12H2,1-3H3/t15-/m0/s1