(2S,3S,5S)-2-hexyl-3-oxidanyl-5-phenylmethoxy-hexadecanoic acid

Systemtic Name: (2S,3S,5S)-2-hexyl-3-oxidanyl-5-phenylmethoxy-hexadecanoic acid Openeye Name: (2S,3S,5S)-5-benzyloxy-2-hexyl-3-hydroxy-hexadecanoic acid CAS Name: (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoic acid IUPAC Name: (2S,3S,5S)-2-hexyl-3-hydroxy-5-phenylmethoxyhexadecanoic acid Traditional Name: (2S,3S,5S)-5-benzoxy-2-hexyl-3-hydroxy-palmitic acid Formula: C29H50O4 MolecularWeight: 462.7049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50O4/c1-3-5-7-9-10-11-12-13-17-21-26(33-24-25-19-15-14-16-20-25)23-28(30)27(29(31)32)22-18-8-6-4-2/h14-16,19-20,26-28,30H,3-13,17-18,21-24H2,1-2H3,(H,31,32)/t26-,27-,28-/m0/s1