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

Systemtic Name: (2,6-dimethylphenyl) (2R,3S,4R)-2-methyl-3-oxidanyl-4-phenylsulfanyl-hexanoate Openeye Name: (2,6-dimethylphenyl) (2R,3S,4R)-3-hydroxy-2-methyl-4-phenylsulfanyl-hexanoate CAS Name: (2R,3S,4R)-3-hydroxy-2-methyl-4-(phenylthio)hexanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (2R,3S,4R)-3-hydroxy-2-methyl-4-phenylsulfanylhexanoate Traditional Name: (2R,3S,4R)-3-hydroxy-2-methyl-4-(phenylthio)hexanoic acid (2,6-dimethylphenyl) ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3S/c1-5-18(25-17-12-7-6-8-13-17)19(22)16(4)21(23)24-20-14(2)10-9-11-15(20)3/h6-13,16,18-19,22H,5H2,1-4H3/t16-,18-,19+/m1/s1