5-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane

Systemtic Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane Openeye Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane CAS Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane IUPAC Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane Traditional Name: 5-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane Formula: C16H20S2 MolecularWeight: 276.46

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20S2/c1-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(2,3)4/h1,6-9,14-15H,10-11H2,2-4H3