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

Systemtic Name: tert-butyl (2R,3S)-3-oxidanyl-2-(phenylsulfanylmethyl)octanoate Openeye Name: tert-butyl (2R,3S)-3-hydroxy-2-(phenylsulfanylmethyl)octanoate CAS Name: (2R,3S)-3-hydroxy-2-[(phenylthio)methyl]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-3-hydroxy-2-(phenylsulfanylmethyl)octanoate Traditional Name: (2R,3S)-3-hydroxy-2-[(phenylthio)methyl]caprylic acid tert-butyl ester Formula: C19H30O3S MolecularWeight: 338.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CSC1=CC=CC=C1)C(=O)OC(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C19H30O3S/c1-5-6-8-13-17(20)16(18(21)22-19(2,3)4)14-23-15-11-9-7-10-12-15/h7,9-12,16-17,20H,5-6,8,13-14H2,1-4H3/t16-,17+/m1/s1