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

Systemtic Name: 2-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane Openeye Name: 2-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane CAS Name: 2-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane IUPAC Name: 2-tert-butyl-2-(4-ethynylphenyl)-1,3-dithiane Traditional Name: 2-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)C1(SCCCS1)C2=CC=C(C=C2)C#C

Isomeric SMILES

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

InChI

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