5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dithiane

Systemtic Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dithiane Openeye Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dithiane CAS Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dithiane IUPAC Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dithiane Traditional Name: 5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dithiane Formula: C16H18S2 MolecularWeight: 274.44412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2SCC(CS2)C3CCC3

Isomeric SMILES

C#CC1=CC=C(C=C1)C2SCC(CS2)C3CCC3

InChI

InChI=1S/C16H18S2/c1-2-12-6-8-14(9-7-12)16-17-10-15(11-18-16)13-4-3-5-13/h1,6-9,13,15-16H,3-5,10-11H2