2-but-3-ynyl-2-phenyl-1,3-dithiane

Systemtic Name: 2-but-3-ynyl-2-phenyl-1,3-dithiane Openeye Name: 2-but-3-ynyl-2-phenyl-1,3-dithiane CAS Name: 2-but-3-ynyl-2-phenyl-1,3-dithiane IUPAC Name: 2-but-3-ynyl-2-phenyl-1,3-dithiane Traditional Name: 2-but-3-ynyl-2-phenyl-1,3-dithiane Formula: C14H16S2 MolecularWeight: 248.40684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCC1(SCCCS1)C2=CC=CC=C2

Isomeric SMILES

C#CCCC1(SCCCS1)C2=CC=CC=C2

InChI

InChI=1S/C14H16S2/c1-2-3-10-14(15-11-7-12-16-14)13-8-5-4-6-9-13/h1,4-6,8-9H,3,7,10-12H2