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

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

Systemtic Name:[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate
Openeye Name:[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate
CAS Name:thiocyanic acid [3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] ester
IUPAC Name:[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate
Traditional Name:thiocyanic acid [3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl] ester
Formula: C9H5F3N4O4S
MolecularWeight: 322.22061
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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C(=C1[N+](=O)[O-])SC#N)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

CNC1=C(C=C(C(=C1[N+](=O)[O-])SC#N)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C9H5F3N4O4S/c1-14-6-5(15(17)18)2-4(9(10,11)12)8(21-3-13)7(6)16(19)20/h2,14H,1H3


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