(2S,5R,6R)-2-methyl-6-phenylmethoxy-1-oxacyclonon-3-yn-5-ol

Systemtic Name: (2S,5R,6R)-2-methyl-6-phenylmethoxy-1-oxacyclonon-3-yn-5-ol Openeye Name: (2S,5R,6R)-6-benzyloxy-2-methyl-1-oxacyclonon-3-yn-5-ol CAS Name: (2S,5R,6R)-2-methyl-6-phenylmethoxy-1-oxacyclonon-3-yn-5-ol IUPAC Name: (2S,5R,6R)-2-methyl-6-phenylmethoxy-1-oxacyclonon-3-yn-5-ol Traditional Name: (2S,5R,6R)-6-benzoxy-2-methyl-1-oxacyclonon-3-yn-5-ol Formula: C16H20O3 MolecularWeight: 260.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C#CC(C(CCCO1)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@H]1C#C[C@H]([C@@H](CCCO1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C16H20O3/c1-13-9-10-15(17)16(8-5-11-18-13)19-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8,11-12H2,1H3/t13-,15+,16+/m0/s1