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

Systemtic Name: [3-(2,2-dimethylhydrazinyl)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate Openeye Name: [3-(2,2-dimethylhydrazino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate CAS Name: thiocyanic acid [3-(2,2-dimethylhydrazinyl)-2,4-dinitro-6-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(2,2-dimethylhydrazinyl)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate Traditional Name: thiocyanic acid [3-(N',N'-dimethylhydrazino)-2,4-dinitro-6-(trifluoromethyl)phenyl] ester Formula: C10H8F3N5O4S MolecularWeight: 351.26183

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)NC1=C(C=C(C(=C1[N+](=O)[O-])SC#N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)NC1=C(C=C(C(=C1[N+](=O)[O-])SC#N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3N5O4S/c1-16(2)15-7-6(17(19)20)3-5(10(11,12)13)9(23-4-14)8(7)18(21)22/h3,15H,1-2H3