O-(2-tert-butyl-4,6-dinitro-phenyl) N,N-dimethylcarbamothioate

Systemtic Name: O-(2-tert-butyl-4,6-dinitro-phenyl) N,N-dimethylcarbamothioate Openeye Name: O-(2-tert-butyl-4,6-dinitro-phenyl) N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-(2-tert-butyl-4,6-dinitrophenyl) ester IUPAC Name: O-(2-tert-butyl-4,6-dinitrophenyl) N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-(2-tert-butyl-4,6-dinitro-phenyl) ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=S)N(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=S)N(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-13(2,3)9-6-8(15(17)18)7-10(16(19)20)11(9)21-12(22)14(4)5/h6-7H,1-5H3