methyl (3R,4R)-2,2,5-trimethyl-3-oxidanyl-4-propan-2-ylsulfanyl-hexanoate

Systemtic Name: methyl (3R,4R)-2,2,5-trimethyl-3-oxidanyl-4-propan-2-ylsulfanyl-hexanoate Openeye Name: methyl (3R,4R)-3-hydroxy-4-isopropylsulfanyl-2,2,5-trimethyl-hexanoate CAS Name: (3R,4R)-3-hydroxy-2,2,5-trimethyl-4-(propan-2-ylthio)hexanoic acid methyl ester IUPAC Name: methyl (3R,4R)-3-hydroxy-2,2,5-trimethyl-4-propan-2-ylsulfanylhexanoate Traditional Name: (3R,4R)-3-hydroxy-4-(isopropylthio)-2,2,5-trimethyl-hexanoic acid methyl ester Formula: C13H26O3S MolecularWeight: 262.40874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(C)(C)C(=O)OC)O)SC(C)C

Isomeric SMILES

CC(C)[C@H]([C@@H](C(C)(C)C(=O)OC)O)SC(C)C

InChI

InChI=1S/C13H26O3S/c1-8(2)10(17-9(3)4)11(14)13(5,6)12(15)16-7/h8-11,14H,1-7H3/t10-,11+/m1/s1