(2S)-2-methyl-1-[(3S,4S)-4-oxidanylthian-3-yl]pentan-3-one

Systemtic Name: (2S)-2-methyl-1-[(3S,4S)-4-oxidanylthian-3-yl]pentan-3-one Openeye Name: (2S)-1-[(3S,4S)-4-hydroxytetrahydrothiopyran-3-yl]-2-methyl-pentan-3-one CAS Name: (2S)-1-[(3S,4S)-4-hydroxy-3-thianyl]-2-methyl-3-pentanone IUPAC Name: (2S)-1-[(3S,4S)-4-hydroxythian-3-yl]-2-methylpentan-3-one Traditional Name: (2S)-1-[(3S,4S)-4-hydroxytetrahydrothiopyran-3-yl]-2-methyl-pentan-3-one Formula: C11H20O2S MolecularWeight: 216.3403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)CC1CSCCC1O

Isomeric SMILES

CCC(=O)[C@@H](C)C[C@@H]1CSCC[C@@H]1O

InChI

InChI=1S/C11H20O2S/c1-3-10(12)8(2)6-9-7-14-5-4-11(9)13/h8-9,11,13H,3-7H2,1-2H3/t8-,9+,11-/m0/s1