4-[(2S,3R)-3-phenylmethoxyoxepan-2-yl]but-3-yn-2-ol

Systemtic Name: 4-[(2S,3R)-3-phenylmethoxyoxepan-2-yl]but-3-yn-2-ol Openeye Name: 4-[(2S,3R)-3-benzyloxyoxepan-2-yl]but-3-yn-2-ol CAS Name: 4-[(2S,3R)-3-phenylmethoxy-2-oxepanyl]-3-butyn-2-ol IUPAC Name: 4-[(2S,3R)-3-phenylmethoxyoxepan-2-yl]but-3-yn-2-ol Traditional Name: 4-[(2S,3R)-3-benzoxyoxepan-2-yl]but-3-yn-2-ol Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3/c1-14(18)10-11-17-16(9-5-6-12-19-17)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+/m1/s1