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

Systemtic Name: 2-(5-tert-butyl-1,3-dithian-2-yl)-4-diazonio-phenolate Openeye Name: 2-(5-tert-butyl-1,3-dithian-2-yl)-4-diazonio-phenolate CAS Name: 2-(5-tert-butyl-1,3-dithian-2-yl)-4-diazoniophenolate IUPAC Name: 2-(5-tert-butyl-1,3-dithian-2-yl)-4-diazoniophenolate Traditional Name: 2-(5-tert-butyl-1,3-dithian-2-yl)-4-diazonio-phenolate Formula: C14H18N2OS2 MolecularWeight: 294.43552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2OS2/c1-14(2,3)9-7-18-13(19-8-9)11-6-10(16-15)4-5-12(11)17/h4-6,9,13H,7-8H2,1-3H3