[(2S,3S)-2-methyl-3-oxidanyl-octyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-methyl-3-oxidanyl-octyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-hydroxy-2-methyl-octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-2-methyloctyl] ester IUPAC Name: [(2S,3S)-3-hydroxy-2-methyloctyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-2-methyl-octyl] ester Formula: C16H26O4S MolecularWeight: 314.44024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@@H]([C@@H](C)COS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C16H26O4S/c1-4-5-6-7-16(17)14(3)12-20-21(18,19)15-10-8-13(2)9-11-15/h8-11,14,16-17H,4-7,12H2,1-3H3/t14-,16-/m0/s1