tert-butyl (2S,3S)-3-oxidanyl-2-[(1R)-1-phenylsulfanylethyl]octanoate

Systemtic Name: tert-butyl (2S,3S)-3-oxidanyl-2-[(1R)-1-phenylsulfanylethyl]octanoate Openeye Name: tert-butyl (2S,3S)-3-hydroxy-2-[(1R)-1-phenylsulfanylethyl]octanoate CAS Name: (2S,3S)-3-hydroxy-2-[(1R)-1-(phenylthio)ethyl]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-3-hydroxy-2-[(1R)-1-phenylsulfanylethyl]octanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(1R)-1-(phenylthio)ethyl]caprylic acid tert-butyl ester Formula: C20H32O3S MolecularWeight: 352.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(C)SC1=CC=CC=C1)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCC[C@@H]([C@H]([C@@H](C)SC1=CC=CC=C1)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H32O3S/c1-6-7-9-14-17(21)18(19(22)23-20(3,4)5)15(2)24-16-12-10-8-11-13-16/h8,10-13,15,17-18,21H,6-7,9,14H2,1-5H3/t15-,17+,18+/m1/s1