1,3,5-trinitro-2-(trifluoromethylsulfonylmethyl)benzene

Systemtic Name: 1,3,5-trinitro-2-(trifluoromethylsulfonylmethyl)benzene Openeye Name: 1,3,5-trinitro-2-(trifluoromethylsulfonylmethyl)benzene CAS Name: 1,3,5-trinitro-2-(trifluoromethylsulfonylmethyl)benzene IUPAC Name: 1,3,5-trinitro-2-(trifluoromethylsulfonylmethyl)benzene Traditional Name: 1,3,5-trinitro-2-(triflylmethyl)benzene Formula: C8H4F3N3O8S MolecularWeight: 359.19287

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C8H4F3N3O8S/c9-8(10,11)23(21,22)3-5-6(13(17)18)1-4(12(15)16)2-7(5)14(19)20/h1-2H,3H2