2-chloroethyl-[2,6-dinitro-3-(trifluoromethyl)phenyl]-propyl-thiocyanato-azanium

Systemtic Name: 2-chloroethyl-[2,6-dinitro-3-(trifluoromethyl)phenyl]-propyl-thiocyanato-azanium Openeye Name: 2-chloroethyl-[2,6-dinitro-3-(trifluoromethyl)phenyl]-propyl-thiocyanato-ammonium CAS Name: 2-chloroethyl-[2,6-dinitro-3-(trifluoromethyl)phenyl]-propyl-thiocyanatoammonium IUPAC Name: 2-chloroethyl-[2,6-dinitro-3-(trifluoromethyl)phenyl]-propyl-thiocyanatoazanium Traditional Name: 2-chloroethyl-[2,6-dinitro-3-(trifluoromethyl)phenyl]-propyl-thiocyanato-ammonium Formula: C13H13ClF3N4O4S+ MolecularWeight: 413.77993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClF3N4O4S/c1-2-6-21(7-5-14,26-8-18)12-10(19(22)23)4-3-9(13(15,16)17)11(12)20(24)25/h3-4H,2,5-7H2,1H3/q+1