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2-methoxy-1,5-dinitro-3-(trifluoromethyloxysulfanyl)benzene

2-methoxy-1,5-dinitro-3-(trifluoromethyloxysulfanyl)benzene

Systemtic Name:2-methoxy-1,5-dinitro-3-(trifluoromethyloxysulfanyl)benzene
Openeye Name:2-methoxy-1,5-dinitro-3-(trifluoromethoxysulfanyl)benzene
CAS Name:2-methoxy-3,5-dinitrobenzenesulfenic acid trifluoromethyl ester
IUPAC Name:2-methoxy-1,5-dinitro-3-(trifluoromethoxysulfanyl)benzene
Traditional Name:2-methoxy-1,5-dinitro-3-(trifluoromethoxythio)benzene
Formula: C8H5F3N2O6S
MolecularWeight: 314.19531
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1SOC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

COC1=C(C=C(C=C1SOC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C8H5F3N2O6S/c1-18-7-5(13(16)17)2-4(12(14)15)3-6(7)20-19-8(9,10)11/h2-3H,1H3


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