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2-methylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene

2-methylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene

Systemtic Name:2-methylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
Openeye Name:2-methylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
CAS Name:2-(methylthio)-1,3-dinitro-5-(trifluoromethyl)benzene
IUPAC Name:2-methylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
Traditional Name:2-(methylthio)-1,3-dinitro-5-(trifluoromethyl)benzene
Formula: C8H5F3N2O4S
MolecularWeight: 282.19651
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H5F3N2O4S/c1-18-7-5(12(14)15)2-4(8(9,10)11)3-6(7)13(16)17/h2-3H,1H3


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