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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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