[(2S)-2-oxidanyl-4-phenyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-oxidanyl-4-phenyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-4-phenyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-4-phenylbutyl] ester IUPAC Name: [(2S)-2-hydroxy-4-phenylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-4-phenyl-butyl] ester Formula: C17H20O4S MolecularWeight: 320.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CCC2=CC=CC=C2)O

InChI

InChI=1S/C17H20O4S/c1-14-7-11-17(12-8-14)22(19,20)21-13-16(18)10-9-15-5-3-2-4-6-15/h2-8,11-12,16,18H,9-10,13H2,1H3/t16-/m0/s1