6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-hex-1-en-5-yn-2-olate

Systemtic Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-hex-1-en-5-yn-2-olate Openeye Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-hex-1-en-5-yn-2-olate CAS Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-2-hex-1-en-5-ynolate IUPAC Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazoniohex-1-en-5-yn-2-olate Traditional Name: 6-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]-1-diazonio-hex-1-en-5-yn-2-olate Formula: C20H24N2OS2 MolecularWeight: 372.54736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS2/c1-20(2,3)17-13-24-19(25-14-17)16-10-8-15(9-11-16)6-4-5-7-18(23)12-22-21/h8-12,17,19H,5,7,13-14H2,1-3H3