(phenylmethyl) (3S,4S)-4-methyl-3-oxidanyl-octanoate

Systemtic Name: (phenylmethyl) (3S,4S)-4-methyl-3-oxidanyl-octanoate Openeye Name: benzyl (3S,4S)-3-hydroxy-4-methyl-octanoate CAS Name: (3S,4S)-3-hydroxy-4-methyloctanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-3-hydroxy-4-methyloctanoate Traditional Name: (3S,4S)-3-hydroxy-4-methyl-caprylic acid benzyl ester Formula: C16H24O3 MolecularWeight: 264.35996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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