S-ethyl (2S,3R)-2-methyl-3-oxidanyl-dodecanethioate

Systemtic Name: S-ethyl (2S,3R)-2-methyl-3-oxidanyl-dodecanethioate Openeye Name: S-ethyl (2S,3R)-3-hydroxy-2-methyl-dodecanethioate CAS Name: (2S,3R)-3-hydroxy-2-methyldodecanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3R)-3-hydroxy-2-methyldodecanethioate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-dodecanethioic acid S-ethyl ester Formula: C15H30O2S MolecularWeight: 274.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)C(=O)SCC)O

Isomeric SMILES

CCCCCCCCC[C@H]([C@H](C)C(=O)SCC)O

InChI

InChI=1S/C15H30O2S/c1-4-6-7-8-9-10-11-12-14(16)13(3)15(17)18-5-2/h13-14,16H,4-12H2,1-3H3/t13-,14+/m0/s1