[(2S,3R,5S)-2,6,6-trimethyl-5-phenylsulfanyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,5S)-2,6,6-trimethyl-5-phenylsulfanyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,5S)-2,6,6-trimethyl-5-phenylsulfanyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,5S)-2,6,6-trimethyl-5-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,5S)-2,6,6-trimethyl-5-phenylsulfanyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,5S)-2,6,6-trimethyl-5-(phenylthio)tetrahydropyran-3-yl] ester Formula: C16H22O3S MolecularWeight: 294.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C(O1)(C)C)SC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H](C[C@@H](C(O1)(C)C)SC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C16H22O3S/c1-11-14(18-12(2)17)10-15(16(3,4)19-11)20-13-8-6-5-7-9-13/h5-9,11,14-15H,10H2,1-4H3/t11-,14+,15-/m0/s1