(3S)-3-[(S)-cyclohexyl(oxidanyl)methyl]thian-4-one

Systemtic Name: (3S)-3-[(S)-cyclohexyl(oxidanyl)methyl]thian-4-one Openeye Name: (3S)-3-[(S)-cyclohexyl(hydroxy)methyl]tetrahydrothiopyran-4-one CAS Name: (3S)-3-[(S)-cyclohexyl(hydroxy)methyl]-4-thianone IUPAC Name: (3S)-3-[(S)-cyclohexyl(hydroxy)methyl]thian-4-one Traditional Name: (3S)-3-[(S)-cyclohexyl(hydroxy)methyl]tetrahydrothiopyran-4-one Formula: C12H20O2S MolecularWeight: 228.351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CSCCC2=O)O

Isomeric SMILES

C1CCC(CC1)[C@@H]([C@@H]2CSCCC2=O)O

InChI

InChI=1S/C12H20O2S/c13-11-6-7-15-8-10(11)12(14)9-4-2-1-3-5-9/h9-10,12,14H,1-8H2/t10-,12+/m1/s1