[2,6-dinitro-3-(trifluoromethyl)phenyl]-hexyl-methyl-thiocyanato-azanium

Systemtic Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-hexyl-methyl-thiocyanato-azanium Openeye Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-hexyl-methyl-thiocyanato-ammonium CAS Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-hexyl-methyl-thiocyanatoammonium IUPAC Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-hexyl-methyl-thiocyanatoazanium Traditional Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-hexyl-methyl-thiocyanato-ammonium Formula: C15H18F3N4O4S+ MolecularWeight: 407.38803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C1=C(C=CC(=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])SC#N

Isomeric SMILES

CCCCCC[N+](C)(C1=C(C=CC(=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])SC#N

InChI

InChI=1S/C15H18F3N4O4S/c1-3-4-5-6-9-22(2,27-10-19)14-12(20(23)24)8-7-11(15(16,17)18)13(14)21(25)26/h7-8H,3-6,9H2,1-2H3/q+1