(6-tert-butyl-3-methyl-2,4-dinitro-phenyl) N,N-dimethylsulfamate

Systemtic Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) N,N-dimethylsulfamate Openeye Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) N,N-dimethylsulfamate CAS Name: N,N-dimethylsulfamic acid (6-tert-butyl-3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) N,N-dimethylsulfamate Traditional Name: N,N-dimethylsulfamic acid (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) ester Formula: C13H19N3O7S MolecularWeight: 361.37086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1[N+](=O)[O-])OS(=O)(=O)N(C)C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])OS(=O)(=O)N(C)C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O7S/c1-8-10(15(17)18)7-9(13(2,3)4)12(11(8)16(19)20)23-24(21,22)14(5)6/h7H,1-6H3