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

Systemtic Name: (2,6-dimethylphenyl) (2R,3S,4R)-2,4-dimethyl-3-oxidanyl-4-(phenylmethylsulfanyl)hexanoate Openeye Name: (2,6-dimethylphenyl) (2R,3S,4R)-4-benzylsulfanyl-3-hydroxy-2,4-dimethyl-hexanoate CAS Name: (2R,3S,4R)-3-hydroxy-2,4-dimethyl-4-(phenylmethylthio)hexanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2R,3S,4R)-4-benzylsulfanyl-3-hydroxy-2,4-dimethylhexanoate Traditional Name: (2R,3S,4R)-4-(benzylthio)-3-hydroxy-2,4-dimethyl-hexanoic acid (2,6-dimethylphenyl) ester Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C(C)C(=O)OC1=C(C=CC=C1C)C)O)SCC2=CC=CC=C2

Isomeric SMILES

CC[C@](C)([C@H]([C@@H](C)C(=O)OC1=C(C=CC=C1C)C)O)SCC2=CC=CC=C2

InChI

InChI=1S/C23H30O3S/c1-6-23(5,27-15-19-13-8-7-9-14-19)21(24)18(4)22(25)26-20-16(2)11-10-12-17(20)3/h7-14,18,21,24H,6,15H2,1-5H3/t18-,21+,23-/m1/s1