tert-butyl (2S,3R)-2-methyl-3-oxidanyl-2-(phenylsulfanylmethyl)octanoate

Systemtic Name: tert-butyl (2S,3R)-2-methyl-3-oxidanyl-2-(phenylsulfanylmethyl)octanoate Openeye Name: tert-butyl (2S,3R)-3-hydroxy-2-methyl-2-(phenylsulfanylmethyl)octanoate CAS Name: (2S,3R)-3-hydroxy-2-methyl-2-[(phenylthio)methyl]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-hydroxy-2-methyl-2-(phenylsulfanylmethyl)octanoate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-2-[(phenylthio)methyl]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)(CSC1=CC=CC=C1)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCC[C@H]([C@](C)(CSC1=CC=CC=C1)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C20H32O3S/c1-6-7-9-14-17(21)20(5,18(22)23-19(2,3)4)15-24-16-12-10-8-11-13-16/h8,10-13,17,21H,6-7,9,14-15H2,1-5H3/t17-,20+/m1/s1