[2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dithiocarboxy-dimethyl-azanium

Systemtic Name: [2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dithiocarboxy-dimethyl-azanium Openeye Name: [2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dithiocarboxy-dimethyl-ammonium CAS Name: [2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dithiocarboxy-dimethylammonium IUPAC Name: [2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dithiocarboxy-dimethylazanium Traditional Name: [2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dithiocarboxy-dimethyl-ammonium Formula: C13H16F3N4O4S2+ MolecularWeight: 413.41575

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C(=C1[N+](=O)[O-])[N+](C)(C)C(=S)S)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C(=C1[N+](=O)[O-])[N+](C)(C)C(=S)S)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N4O4S2/c1-4-5-17-9-8(18(21)22)6-7(13(14,15)16)11(10(9)19(23)24)20(2,3)12(25)26/h6,17H,4-5H2,1-3H3/p+1