2-bromanyl-6-(5-tert-butyl-1,3-dithian-2-yl)-4-diazonio-phenolate

Systemtic Name: 2-bromanyl-6-(5-tert-butyl-1,3-dithian-2-yl)-4-diazonio-phenolate Openeye Name: 2-bromo-6-(5-tert-butyl-1,3-dithian-2-yl)-4-diazonio-phenolate CAS Name: 2-bromo-6-(5-tert-butyl-1,3-dithian-2-yl)-4-diazoniophenolate IUPAC Name: 2-bromo-6-(5-tert-butyl-1,3-dithian-2-yl)-4-diazoniophenolate Traditional Name: 2-bromo-6-(5-tert-butyl-1,3-dithian-2-yl)-4-diazonio-phenolate Formula: C14H17BrN2OS2 MolecularWeight: 373.33158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)C2=CC(=CC(=C2[O-])Br)[N+]#N

Isomeric SMILES

CC(C)(C)C1CSC(SC1)C2=CC(=CC(=C2[O-])Br)[N+]#N

InChI

InChI=1S/C14H17BrN2OS2/c1-14(2,3)8-6-19-13(20-7-8)10-4-9(17-16)5-11(15)12(10)18/h4-5,8,13H,6-7H2,1-3H3