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4-(methylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one

4-(methylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name:4-(methylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one
Openeye Name:4-(methylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one
CAS Name:4-(methylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one
IUPAC Name:4-(methylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one
Traditional Name:4-(methylamino)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one
Formula: C9H5F3N2O3S2
MolecularWeight: 310.27281
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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

CNC1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C9H5F3N2O3S2/c1-13-5-4(14(16)17)2-3(9(10,11)12)6-7(5)19-8(15)18-6/h2,13H,1H3


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