(2S,5S,6S)-2,6-dimethyl-5-(phenylsulfanylmethyl)-1,3-dioxan-4-one

Systemtic Name: (2S,5S,6S)-2,6-dimethyl-5-(phenylsulfanylmethyl)-1,3-dioxan-4-one Openeye Name: (2S,5S,6S)-2,6-dimethyl-5-(phenylsulfanylmethyl)-1,3-dioxan-4-one CAS Name: (2S,5S,6S)-2,6-dimethyl-5-[(phenylthio)methyl]-1,3-dioxan-4-one IUPAC Name: (2S,5S,6S)-2,6-dimethyl-5-(phenylsulfanylmethyl)-1,3-dioxan-4-one Traditional Name: (2S,5S,6S)-2,6-dimethyl-5-[(phenylthio)methyl]-1,3-dioxan-4-one Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)OC(O1)C)CSC2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@@H](C(=O)O[C@H](O1)C)CSC2=CC=CC=C2

InChI

InChI=1S/C13H16O3S/c1-9-12(13(14)16-10(2)15-9)8-17-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10-,12-/m0/s1