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

Systemtic Name: (phenylmethyl) (2S,3S,5S)-2-hexyl-3-oxidanyl-5-phenylmethoxy-hexadecanoate Openeye Name: benzyl (2S,3S,5S)-5-benzyloxy-2-hexyl-3-hydroxy-hexadecanoate CAS Name: (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoate Traditional Name: (2S,3S,5S)-5-benzoxy-2-hexyl-3-hydroxy-palmitic acid benzyl ester Formula: C36H56O4 MolecularWeight: 552.82744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)OCC1=CC=CC=C1)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)OCC1=CC=CC=C1)O)OCC2=CC=CC=C2

InChI

InChI=1S/C36H56O4/c1-3-5-7-9-10-11-12-13-20-26-33(39-29-31-22-16-14-17-23-31)28-35(37)34(27-21-8-6-4-2)36(38)40-30-32-24-18-15-19-25-32/h14-19,22-25,33-35,37H,3-13,20-21,26-30H2,1-2H3/t33-,34-,35-/m0/s1