(2R,3R,7S)-2,8-dimethyl-3-oxidanyl-7-phenylmethoxy-nonanoic acid

Systemtic Name: (2R,3R,7S)-2,8-dimethyl-3-oxidanyl-7-phenylmethoxy-nonanoic acid Openeye Name: (2R,3R,7S)-7-benzyloxy-3-hydroxy-2,8-dimethyl-nonanoic acid CAS Name: (2R,3R,7S)-3-hydroxy-2,8-dimethyl-7-phenylmethoxynonanoic acid IUPAC Name: (2R,3R,7S)-3-hydroxy-2,8-dimethyl-7-phenylmethoxynonanoic acid Traditional Name: (2R,3R,7S)-7-benzoxy-3-hydroxy-2,8-dimethyl-pelargonic acid Formula: C18H28O4 MolecularWeight: 308.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O4/c1-13(2)17(22-12-15-8-5-4-6-9-15)11-7-10-16(19)14(3)18(20)21/h4-6,8-9,13-14,16-17,19H,7,10-12H2,1-3H3,(H,20,21)/t14-,16-,17+/m1/s1