methyl (2R,3S,4S)-4-ethanoyl-2-methyl-3-oxidanyl-octanoate

Systemtic Name: methyl (2R,3S,4S)-4-ethanoyl-2-methyl-3-oxidanyl-octanoate Openeye Name: methyl (2R,3S,4S)-4-acetyl-3-hydroxy-2-methyl-octanoate CAS Name: (2R,3S,4S)-4-acetyl-3-hydroxy-2-methyloctanoic acid methyl ester IUPAC Name: methyl (2R,3S,4S)-4-acetyl-3-hydroxy-2-methyloctanoate Traditional Name: (2R,3S,4S)-4-acetyl-3-hydroxy-2-methyl-caprylic acid methyl ester Formula: C12H22O4 MolecularWeight: 230.30068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O4/c1-5-6-7-10(9(3)13)11(14)8(2)12(15)16-4/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-/m1/s1