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

Systemtic Name: (2S,5R,6R)-2-methyl-6-phenylmethoxy-1-oxacyclodec-3-yn-5-ol Openeye Name: (2S,5R,6R)-6-benzyloxy-2-methyl-1-oxacyclodec-3-yn-5-ol CAS Name: (2S,5R,6R)-2-methyl-6-phenylmethoxy-1-oxacyclodec-3-yn-5-ol IUPAC Name: (2S,5R,6R)-2-methyl-6-phenylmethoxy-1-oxacyclodec-3-yn-5-ol Traditional Name: (2S,5R,6R)-6-benzoxy-2-methyl-1-oxacyclodec-3-yn-5-ol Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C#CC(C(CCCCO1)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@H]1C#C[C@H]([C@@H](CCCCO1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C17H22O3/c1-14-10-11-16(18)17(9-5-6-12-19-14)20-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18H,5-6,9,12-13H2,1H3/t14-,16+,17+/m0/s1