4-tert-butyl-2-(2,4-dinitrophenyl)-1,2,3-thiadiazol-2-ium chloride

Systemtic Name: 4-tert-butyl-2-(2,4-dinitrophenyl)-1,2,3-thiadiazol-2-ium chloride Openeye Name: 4-tert-butyl-2-(2,4-dinitrophenyl)thiadiazol-2-ium chloride CAS Name: 4-tert-butyl-2-(2,4-dinitrophenyl)thiadiazol-2-ium chloride IUPAC Name: 4-tert-butyl-2-(2,4-dinitrophenyl)thiadiazol-2-ium chloride Traditional Name: 4-tert-butyl-2-(2,4-dinitrophenyl)thiadiazol-2-ium chloride Formula: C12H13ClN4O4S MolecularWeight: 344.77402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CS[N+](=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CS[N+](=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C12H13N4O4S.ClH/c1-12(2,3)11-7-21-14(13-11)9-5-4-8(15(17)18)6-10(9)16(19)20;/h4-7H,1-3H3;1H/q+1;/p-1