(phenylmethyl) (2S,3S)-2-hexyl-3-oxidanyl-5-oxidanylidene-hexadecanoate

Systemtic Name: (phenylmethyl) (2S,3S)-2-hexyl-3-oxidanyl-5-oxidanylidene-hexadecanoate Openeye Name: benzyl (2S,3S)-2-hexyl-3-hydroxy-5-oxo-hexadecanoate CAS Name: (2S,3S)-2-hexyl-3-hydroxy-5-oxohexadecanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-2-hexyl-3-hydroxy-5-oxohexadecanoate Traditional Name: (2S,3S)-2-hexyl-3-hydroxy-5-keto-palmitic acid benzyl ester Formula: C29H48O4 MolecularWeight: 460.68902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48O4/c1-3-5-7-9-10-11-12-13-17-21-26(30)23-28(31)27(22-18-8-6-4-2)29(32)33-24-25-19-15-14-16-20-25/h14-16,19-20,27-28,31H,3-13,17-18,21-24H2,1-2H3/t27-,28-/m0/s1