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

Systemtic Name: [(2S)-2-methyl-2-oxidanyl-hexyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-2-methyl-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-methylhexyl] ester IUPAC Name: [(2S)-2-hydroxy-2-methylhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-methyl-hexyl] ester Formula: C14H22O4S MolecularWeight: 286.38708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S/c1-4-5-10-14(3,15)11-18-19(16,17)13-8-6-12(2)7-9-13/h6-9,15H,4-5,10-11H2,1-3H3/t14-/m0/s1