(phenylmethyl) (2S,3R)-2-methyl-3-oxidanyl-octanoate

Systemtic Name: (phenylmethyl) (2S,3R)-2-methyl-3-oxidanyl-octanoate Openeye Name: benzyl (2S,3R)-3-hydroxy-2-methyl-octanoate CAS Name: (2S,3R)-3-hydroxy-2-methyloctanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-hydroxy-2-methyloctanoate Traditional Name: (2S,3R)-3-hydroxy-2-methyl-caprylic acid benzyl ester Formula: C16H24O3 MolecularWeight: 264.35996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)C(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CCCCC[C@H]([C@H](C)C(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C16H24O3/c1-3-4-6-11-15(17)13(2)16(18)19-12-14-9-7-5-8-10-14/h5,7-10,13,15,17H,3-4,6,11-12H2,1-2H3/t13-,15+/m0/s1