(2S,3S,4R,6R)-2,4,6-trimethyl-3-phenylmethoxy-octanoic acid

Systemtic Name: (2S,3S,4R,6R)-2,4,6-trimethyl-3-phenylmethoxy-octanoic acid Openeye Name: (2S,3S,4R,6R)-3-benzyloxy-2,4,6-trimethyl-octanoic acid CAS Name: (2S,3S,4R,6R)-2,4,6-trimethyl-3-phenylmethoxyoctanoic acid IUPAC Name: (2S,3S,4R,6R)-2,4,6-trimethyl-3-phenylmethoxyoctanoic acid Traditional Name: (2S,3S,4R,6R)-3-benzoxy-2,4,6-trimethyl-caprylic acid Formula: C18H28O3 MolecularWeight: 292.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O3/c1-5-13(2)11-14(3)17(15(4)18(19)20)21-12-16-9-7-6-8-10-16/h6-10,13-15,17H,5,11-12H2,1-4H3,(H,19,20)/t13-,14-,15+,17+/m1/s1