[3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate

Systemtic Name: [3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate Openeye Name: [3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate CAS Name: thiocyanic acid [3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate Traditional Name: thiocyanic acid [3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] ester Formula: C14H15F3N4O4S MolecularWeight: 392.35351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N4O4S/c1-3-5-19(6-4-2)11-10(20(22)23)7-9(14(15,16)17)13(26-8-18)12(11)21(24)25/h7H,3-6H2,1-2H3