S-[(2S)-1-hexoxy-3-oxidanyl-propan-2-yl] 3-phenylpropanethioate

Systemtic Name: S-[(2S)-1-hexoxy-3-oxidanyl-propan-2-yl] 3-phenylpropanethioate Openeye Name: S-[(1S)-1-(hexoxymethyl)-2-hydroxy-ethyl] 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-[(2S)-1-hexoxy-3-hydroxypropan-2-yl] ester IUPAC Name: S-[(2S)-1-hexoxy-3-hydroxypropan-2-yl] 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-[(1S)-1-(hexoxymethyl)-2-hydroxy-ethyl] ester Formula: C18H28O3S MolecularWeight: 324.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(CO)SC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCOC[C@H](CO)SC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C18H28O3S/c1-2-3-4-8-13-21-15-17(14-19)22-18(20)12-11-16-9-6-5-7-10-16/h5-7,9-10,17,19H,2-4,8,11-15H2,1H3/t17-/m0/s1