S-tert-butyl 2-[(1S,2S)-2-oxidanylcyclohexyl]ethanethioate

Systemtic Name: S-tert-butyl 2-[(1S,2S)-2-oxidanylcyclohexyl]ethanethioate Openeye Name: S-tert-butyl 2-[(1S,2S)-2-hydroxycyclohexyl]ethanethioate CAS Name: 2-[(1S,2S)-2-hydroxycyclohexyl]ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-[(1S,2S)-2-hydroxycyclohexyl]ethanethioate Traditional Name: 2-[(1S,2S)-2-hydroxycyclohexyl]ethanethioic acid S-tert-butyl ester Formula: C12H22O2S MolecularWeight: 230.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC1CCCCC1O

Isomeric SMILES

CC(C)(C)SC(=O)C[C@@H]1CCCC[C@@H]1O

InChI

InChI=1S/C12H22O2S/c1-12(2,3)15-11(14)8-9-6-4-5-7-10(9)13/h9-10,13H,4-8H2,1-3H3/t9-,10-/m0/s1