[[2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dimethyl-azaniumyl]methanedithioate

Systemtic Name: [[2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dimethyl-azaniumyl]methanedithioate Openeye Name: [[2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dimethyl-ammonio]methanedithioate CAS Name: [[2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dimethylammonio]methanedithioate IUPAC Name: [[2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dimethylazaniumyl]methanedithioate Traditional Name: [[2,4-dinitro-3-(propylamino)-6-(trifluoromethyl)phenyl]-dimethyl-ammonio]methanedithioate Formula: C13H15F3N4O4S2 MolecularWeight: 412.40781

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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