(2S,5S)-2-(4-buta-1,3-diynylphenyl)-5-tert-butyl-1,3-oxathiane

Systemtic Name: (2S,5S)-2-(4-buta-1,3-diynylphenyl)-5-tert-butyl-1,3-oxathiane Openeye Name: (2S,5S)-2-(4-buta-1,3-diynylphenyl)-5-tert-butyl-1,3-oxathiane CAS Name: (2S,5S)-2-(4-buta-1,3-diynylphenyl)-5-tert-butyl-1,3-oxathiane IUPAC Name: (2S,5S)-2-(4-buta-1,3-diynylphenyl)-5-tert-butyl-1,3-oxathiane Traditional Name: (2S,5S)-2-(4-buta-1,3-diynylphenyl)-5-tert-butyl-1,3-oxathiane Formula: C18H20OS MolecularWeight: 284.4158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC(SC1)C2=CC=C(C=C2)C#CC#C

Isomeric SMILES

CC(C)(C)[C@H]1CO[C@@H](SC1)C2=CC=C(C=C2)C#CC#C

InChI

InChI=1S/C18H20OS/c1-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(2,3)4/h1,8-11,16-17H,12-13H2,2-4H3/t16-,17-/m0/s1