[(2R,3S)-3-ethyl-2-methyl-2-oxidanyl-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-3-ethyl-2-methyl-2-oxidanyl-heptyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-3-ethyl-2-hydroxy-2-methyl-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-ethyl-2-hydroxy-2-methylheptyl] ester IUPAC Name: [(2R,3S)-3-ethyl-2-hydroxy-2-methylheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-ethyl-2-hydroxy-2-methyl-heptyl] ester Formula: C17H28O4S MolecularWeight: 328.46682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O4S/c1-5-7-8-15(6-2)17(4,18)13-21-22(19,20)16-11-9-14(3)10-12-16/h9-12,15,18H,5-8,13H2,1-4H3/t15-,17-/m0/s1