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

Systemtic Name: 2-tert-butyl-2-(4-ethynyl-3-fluoranyl-phenyl)-1,3-dithiane Openeye Name: 2-tert-butyl-2-(4-ethynyl-3-fluoro-phenyl)-1,3-dithiane CAS Name: 2-tert-butyl-2-(4-ethynyl-3-fluorophenyl)-1,3-dithiane IUPAC Name: 2-tert-butyl-2-(4-ethynyl-3-fluorophenyl)-1,3-dithiane Traditional Name: 2-tert-butyl-2-(4-ethynyl-3-fluoro-phenyl)-1,3-dithiane Formula: C16H19FS2 MolecularWeight: 294.450463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FS2/c1-5-12-7-8-13(11-14(12)17)16(15(2,3)4)18-9-6-10-19-16/h1,7-8,11H,6,9-10H2,2-4H3