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

Systemtic Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-prop-2-enyl-propyl-thiocyanato-azanium Openeye Name: allyl-[2,6-dinitro-3-(trifluoromethyl)phenyl]-propyl-thiocyanato-ammonium CAS Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-prop-2-enyl-propyl-thiocyanatoammonium IUPAC Name: [2,6-dinitro-3-(trifluoromethyl)phenyl]-prop-2-enyl-propyl-thiocyanatoazanium Traditional Name: allyl-[2,6-dinitro-3-(trifluoromethyl)phenyl]-propyl-thiocyanato-ammonium Formula: C14H14F3N4O4S+ MolecularWeight: 391.34557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N4O4S/c1-3-7-21(8-4-2,26-9-18)13-11(19(22)23)6-5-10(14(15,16)17)12(13)20(24)25/h3,5-6H,1,4,7-8H2,2H3/q+1