(3S,5R)-3-oxidanyl-5-phenylmethoxy-hexadecanoic acid

Systemtic Name: (3S,5R)-3-oxidanyl-5-phenylmethoxy-hexadecanoic acid Openeye Name: (3S,5R)-5-benzyloxy-3-hydroxy-hexadecanoic acid CAS Name: (3S,5R)-3-hydroxy-5-phenylmethoxyhexadecanoic acid IUPAC Name: (3S,5R)-3-hydroxy-5-phenylmethoxyhexadecanoic acid Traditional Name: (3S,5R)-5-benzoxy-3-hydroxy-palmitic acid Formula: C23H38O4 MolecularWeight: 378.54542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-13-16-22(17-21(24)18-23(25)26)27-19-20-14-11-10-12-15-20/h10-12,14-15,21-22,24H,2-9,13,16-19H2,1H3,(H,25,26)/t21-,22+/m0/s1