2-(3-tert-butyl-4-ethynyl-phenyl)-1,3-dithiane

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2SCCCS2)C#C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2SCCCS2)C#C

InChI

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