(2,6-dimethylphenyl) (2R,3S,4S)-2,4-dimethyl-3-oxidanyl-4-phenylsulfanyl-hexanoate

Systemtic Name: (2,6-dimethylphenyl) (2R,3S,4S)-2,4-dimethyl-3-oxidanyl-4-phenylsulfanyl-hexanoate Openeye Name: (2,6-dimethylphenyl) (2R,3S,4S)-3-hydroxy-2,4-dimethyl-4-phenylsulfanyl-hexanoate CAS Name: (2R,3S,4S)-3-hydroxy-2,4-dimethyl-4-(phenylthio)hexanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2R,3S,4S)-3-hydroxy-2,4-dimethyl-4-phenylsulfanylhexanoate Traditional Name: (2R,3S,4S)-3-hydroxy-2,4-dimethyl-4-(phenylthio)hexanoic acid (2,6-dimethylphenyl) ester Formula: C22H28O3S MolecularWeight: 372.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C(C)C(=O)OC1=C(C=CC=C1C)C)O)SC2=CC=CC=C2

Isomeric SMILES

CC[C@@](C)([C@H]([C@@H](C)C(=O)OC1=C(C=CC=C1C)C)O)SC2=CC=CC=C2

InChI

InChI=1S/C22H28O3S/c1-6-22(5,26-18-13-8-7-9-14-18)20(23)17(4)21(24)25-19-15(2)11-10-12-16(19)3/h7-14,17,20,23H,6H2,1-5H3/t17-,20+,22+/m1/s1