methyl (2R,3S,4R)-2-methyl-3-oxidanyl-4-[(1R)-1-oxidanylethyl]octanoate

Systemtic Name: methyl (2R,3S,4R)-2-methyl-3-oxidanyl-4-[(1R)-1-oxidanylethyl]octanoate Openeye Name: methyl (2R,3S,4R)-3-hydroxy-4-[(1R)-1-hydroxyethyl]-2-methyl-octanoate CAS Name: (2R,3S,4R)-3-hydroxy-4-[(1R)-1-hydroxyethyl]-2-methyloctanoic acid methyl ester IUPAC Name: methyl (2R,3S,4R)-3-hydroxy-4-[(1R)-1-hydroxyethyl]-2-methyloctanoate Traditional Name: (2R,3S,4R)-3-hydroxy-4-[(1R)-1-hydroxyethyl]-2-methyl-caprylic acid methyl ester Formula: C12H24O4 MolecularWeight: 232.31656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)O)C(C(C)C(=O)OC)O

Isomeric SMILES

CCCC[C@H]([C@@H](C)O)[C@@H]([C@@H](C)C(=O)OC)O

InChI

InChI=1S/C12H24O4/c1-5-6-7-10(9(3)13)11(14)8(2)12(15)16-4/h8-11,13-14H,5-7H2,1-4H3/t8-,9-,10-,11-/m1/s1