methyl (6S)-8-tert-butylsulfanyl-6-oxidanyl-8-oxidanylidene-octanoate

Systemtic Name: methyl (6S)-8-tert-butylsulfanyl-6-oxidanyl-8-oxidanylidene-octanoate Openeye Name: methyl (6S)-8-tert-butylsulfanyl-6-hydroxy-8-oxo-octanoate CAS Name: (6S)-8-(tert-butylthio)-6-hydroxy-8-oxooctanoic acid methyl ester IUPAC Name: methyl (6S)-8-tert-butylsulfanyl-6-hydroxy-8-oxooctanoate Traditional Name: (6S)-8-(tert-butylthio)-6-hydroxy-8-keto-caprylic acid methyl ester Formula: C13H24O4S MolecularWeight: 276.39226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(CCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C13H24O4S/c1-13(2,3)18-12(16)9-10(14)7-5-6-8-11(15)17-4/h10,14H,5-9H2,1-4H3/t10-/m0/s1