5-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane

Systemtic Name: 5-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane Openeye Name: 5-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane CAS Name: 5-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane IUPAC Name: 5-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane Traditional Name: 5-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane Formula: C16H20S2 MolecularWeight: 276.46

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1CSC(SC1)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H20S2/c1-16(2,3)14-11-17-15(18-12-14)10-9-13-7-5-4-6-8-13/h4-8,14-15H,11-12H2,1-3H3