2-[5-tert-butyl-1,1,3,3-tetrakis(oxidanylidene)-1,3-dithian-2-yl]-4-diazonio-phenolate

Systemtic Name: 2-[5-tert-butyl-1,1,3,3-tetrakis(oxidanylidene)-1,3-dithian-2-yl]-4-diazonio-phenolate Openeye Name: 2-(5-tert-butyl-1,1,3,3-tetraoxo-1,3-dithian-2-yl)-4-diazonio-phenolate CAS Name: 2-(5-tert-butyl-1,1,3,3-tetraoxo-1,3-dithian-2-yl)-4-diazoniophenolate IUPAC Name: 2-(5-tert-butyl-1,1,3,3-tetraoxo-1,3-dithian-2-yl)-4-diazoniophenolate Traditional Name: 2-(5-tert-butyl-1,1,3,3-tetraketo-1,3-dithian-2-yl)-4-diazonio-phenolate Formula: C14H18N2O5S2 MolecularWeight: 358.43312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CS(=O)(=O)C(S(=O)(=O)C1)C2=C(C=CC(=C2)[N+]#N)[O-]

Isomeric SMILES

CC(C)(C)C1CS(=O)(=O)C(S(=O)(=O)C1)C2=C(C=CC(=C2)[N+]#N)[O-]

InChI

InChI=1S/C14H18N2O5S2/c1-14(2,3)9-7-22(18,19)13(23(20,21)8-9)11-6-10(16-15)4-5-12(11)17/h4-6,9,13H,7-8H2,1-3H3