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

Systemtic Name: 1,3-dinitro-5-(trifluoromethyl)-2-(trifluoromethylsulfonylmethyl)benzene Openeye Name: 1,3-dinitro-5-(trifluoromethyl)-2-(trifluoromethylsulfonylmethyl)benzene CAS Name: 1,3-dinitro-5-(trifluoromethyl)-2-(trifluoromethylsulfonylmethyl)benzene IUPAC Name: 1,3-dinitro-5-(trifluoromethyl)-2-(trifluoromethylsulfonylmethyl)benzene Traditional Name: 1,3-dinitro-5-(trifluoromethyl)-2-(triflylmethyl)benzene Formula: C9H4F6N2O6S MolecularWeight: 382.193279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H4F6N2O6S/c10-8(11,12)4-1-6(16(18)19)5(7(2-4)17(20)21)3-24(22,23)9(13,14)15/h1-2H,3H2