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(4-methylsulfanyl-3,5-dinitro-phenyl) trifluoromethyl carbonate

(4-methylsulfanyl-3,5-dinitro-phenyl) trifluoromethyl carbonate

Systemtic Name:(4-methylsulfanyl-3,5-dinitro-phenyl) trifluoromethyl carbonate
Openeye Name:(4-methylsulfanyl-3,5-dinitro-phenyl) trifluoromethyl carbonate
CAS Name:carbonic acid [4-(methylthio)-3,5-dinitrophenyl] trifluoromethyl ester
IUPAC Name:(4-methylsulfanyl-3,5-dinitrophenyl) trifluoromethyl carbonate
Traditional Name:carbonic acid [4-(methylthio)-3,5-dinitro-phenyl] trifluoromethyl ester
Formula: C9H5F3N2O7S
MolecularWeight: 342.20541
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1[N+](=O)[O-])OC(=O)OC(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

CSC1=C(C=C(C=C1[N+](=O)[O-])OC(=O)OC(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C9H5F3N2O7S/c1-22-7-5(13(16)17)2-4(3-6(7)14(18)19)20-8(15)21-9(10,11)12/h2-3H,1H3


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