2-(4-ethynylphenyl)-5-phenyl-1,3-oxathiane

Systemtic Name: 2-(4-ethynylphenyl)-5-phenyl-1,3-oxathiane Openeye Name: 2-(4-ethynylphenyl)-5-phenyl-1,3-oxathiane CAS Name: 2-(4-ethynylphenyl)-5-phenyl-1,3-oxathiane IUPAC Name: 2-(4-ethynylphenyl)-5-phenyl-1,3-oxathiane Traditional Name: 2-(4-ethynylphenyl)-5-phenyl-1,3-oxathiane Formula: C18H16OS MolecularWeight: 280.38404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2OCC(CS2)C3=CC=CC=C3

Isomeric SMILES

C#CC1=CC=C(C=C1)C2OCC(CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H16OS/c1-2-14-8-10-16(11-9-14)18-19-12-17(13-20-18)15-6-4-3-5-7-15/h1,3-11,17-18H,12-13H2