(Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-but-1-en-3-yn-2-olate

Systemtic Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-but-1-en-3-yn-2-olate Openeye Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-but-1-en-3-yn-2-olate CAS Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-2-but-1-en-3-ynolate IUPAC Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazoniobut-1-en-3-yn-2-olate Traditional Name: (Z)-4-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-but-1-en-3-yn-2-olate Formula: C18H20N2OS2 MolecularWeight: 344.4942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2OS2/c1-18(2,3)15-11-22-17(23-12-15)14-7-4-13(5-8-14)6-9-16(21)10-20-19/h4-5,7-8,10,15,17H,11-12H2,1-3H3/b16-10-