(phenylmethyl) (2S,3S)-2-methyl-3-oxidanyl-hexanoate

Systemtic Name: (phenylmethyl) (2S,3S)-2-methyl-3-oxidanyl-hexanoate Openeye Name: benzyl (2S,3S)-3-hydroxy-2-methyl-hexanoate CAS Name: (2S,3S)-3-hydroxy-2-methylhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-hydroxy-2-methylhexanoate Traditional Name: (2S,3S)-3-hydroxy-2-methyl-hexanoic acid benzyl ester Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3/c1-3-7-13(15)11(2)14(16)17-10-12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3/t11-,13-/m0/s1