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

Systemtic Name: 2-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane Openeye Name: 2-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane CAS Name: 2-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane IUPAC Name: 2-tert-butyl-2-(2-phenylethynyl)-1,3-dithiane Traditional Name: 2-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)C1(SCCCS1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1(SCCCS1)C#CC2=CC=CC=C2

InChI

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