(3S,5R)-5-methyl-3-phenylmethoxy-octanoic acid

Systemtic Name: (3S,5R)-5-methyl-3-phenylmethoxy-octanoic acid Openeye Name: (3S,5R)-3-benzyloxy-5-methyl-octanoic acid CAS Name: (3S,5R)-5-methyl-3-phenylmethoxyoctanoic acid IUPAC Name: (3S,5R)-5-methyl-3-phenylmethoxyoctanoic acid Traditional Name: (3S,5R)-3-benzoxy-5-methyl-caprylic acid Formula: C16H24O3 MolecularWeight: 264.35996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O3/c1-3-7-13(2)10-15(11-16(17)18)19-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,17,18)/t13-,15+/m1/s1