(phenylmethyl) (3S)-3-(hydroxymethyl)-5-methyl-hexanoate

Systemtic Name: (phenylmethyl) (3S)-3-(hydroxymethyl)-5-methyl-hexanoate Openeye Name: benzyl (3S)-3-(hydroxymethyl)-5-methyl-hexanoate CAS Name: (3S)-3-(hydroxymethyl)-5-methylhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(hydroxymethyl)-5-methylhexanoate Traditional Name: (3S)-5-methyl-3-methylol-hexanoic acid benzyl ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-12(2)8-14(10-16)9-15(17)18-11-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t14-/m0/s1