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

Systemtic Name: 2-tert-butyl-2-(3-fluoranyl-4-iodanyl-phenyl)-1,3-dithiane Openeye Name: 2-tert-butyl-2-(3-fluoro-4-iodo-phenyl)-1,3-dithiane CAS Name: 2-tert-butyl-2-(3-fluoro-4-iodophenyl)-1,3-dithiane IUPAC Name: 2-tert-butyl-2-(3-fluoro-4-iodophenyl)-1,3-dithiane Traditional Name: 2-tert-butyl-2-(3-fluoro-4-iodo-phenyl)-1,3-dithiane Formula: C14H18FIS2 MolecularWeight: 396.325593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FIS2/c1-13(2,3)14(17-7-4-8-18-14)10-5-6-12(16)11(15)9-10/h5-6,9H,4,7-8H2,1-3H3